O7-Nitrooxyethyl chrysin
Also known as 2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)ethyl nitrate, 2-[(5-Hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]ethyl nitrate
Key facts
What buyers check first
- CAS number
- 1141487-91-3
- Formula
- C17H13NO7
- Molar mass
- 343.29 g/mol
- HS code
- 293299
- Category
- Flavonoids and polyphenols
What is O7-Nitrooxyethyl chrysin?
Plain description, key identifiers and synonyms
O7-Nitrooxyethyl chrysin is a chemical substance with the molecular formula C17H13NO7 and a molar mass of 343.29 g/mol. Its CAS registry number is 1141487-91-3. The IUPAC name is 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyethyl nitrate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyethyl nitrate
- CAS number
- 1141487-91-3 CAS number cross-checked
- Molecular formula
- C17H13NO7
- InChIKey
- NLJRSLKTBHDLMH-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H13NO7/c19-13-8-12(23-6-7-24-18(21)22)9-16-17(13)14(20)10-15(25-16)11-4-2-1-3-5-11/h1-5,8-10,19H,6-7H2
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCCO[N+](=O)[O-])O
Synonyms
- 2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)ethyl nitrate
- 2-[(5-Hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]ethyl nitrate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 343.29 g/molcalc.Computed value |
|---|---|
| Exact mass | 343.0692 Dacalc.Computed value |
| LogP (octanol/water) | 2.75calc.Computed value |
| Topological polar surface area | 112 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.12calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=c1cc(-c2ccccc2)oc2ccccc12
3 rings, 17 atoms, the Flavone ring system.
2,273 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
O7-Nitrooxyethyl chrysin suppliers
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O7-Nitrooxyethyl chrysin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code O7-Nitrooxyethyl chrysin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for O7-Nitrooxyethyl chrysin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![2-(Nitrooxy)ethyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate chemical structure, C19H15NO9, CAS 1227681-44-8](/s/FTCDFUOMOQLAII-UHFFFAOYSA-N.svg)
![4-(Nitrooxy)butyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate chemical structure, C21H19NO9, CAS 1227681-45-9](/s/JFXTWCPYTPAYKL-UHFFFAOYSA-N.svg)
![6-(Nitrooxy)hexyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate chemical structure, C23H23NO9, CAS 1227681-46-0](/s/NANFBOPFGKWUQO-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![2,2-Dimethyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione chemical structure, C17H13NO7, CAS 135491-39-3](/s/PYPZYMUJOUCXFT-UHFFFAOYSA-N.svg)
![2,2-Dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione chemical structure, C17H13NO7, CAS 135491-38-2](/s/ZXJSUSMCNDMRCW-UHFFFAOYSA-N.svg)
![5-[(3-Acetyloxyphenyl)carbonylamino]benzene-1,3-dicarboxylic acid chemical structure, C17H13NO7, CAS 420102-23-4](/s/QHDYURDPTRZPQX-UHFFFAOYSA-N.svg)
![5-({[4-(Acetyloxy)phenyl]carbonyl}amino)benzene-1,3-dicarboxylic acid chemical structure, C17H13NO7, CAS 250267-89-1](/s/GOZLRGINXKGJAF-UHFFFAOYSA-N.svg)
![3-(3-Methoxycarbonyl-2,4,9-trioxo-3H-benzo[f]indol-1-yl)propanoic acid chemical structure, C17H13NO7, CAS 74014-05-4](/s/MIWLDTXVIXNYNG-UHFFFAOYSA-N.svg)
![1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl 1-methyl 2-[(furan-2-yl)methyl]propanedioate chemical structure, C17H13NO7, CAS 2248369-54-0](/s/OLMGHJWHIBKJDX-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about O7-Nitrooxyethyl chrysin, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle O7-Nitrooxyethyl chrysin
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- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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