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Aromatic building blocks

RefChem:854902

Also known as Ethyl (2E)-3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate

CAS 5347-01-3Formula C14H15NO3Molar mass 245.28 g/molEC 653-662-3
GHS signal word: Warning. Pictograms: Harmful or irritant
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RefChem:854902 chemical structure, C14H15NO3, CAS 5347-01-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5347-01-3
Formula
C14H15NO3
Molar mass
245.28 g/mol
EC number
653-662-3
HS code
292690
Category
Aromatic building blocks

What is RefChem:854902?

Plain description, key identifiers and synonyms

RefChem:854902 is a chemical substance with the molecular formula C14H15NO3 and a molar mass of 245.28 g/mol. Its CAS registry number is 5347-01-3. The IUPAC name is ethyl (E)-3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl (E)-3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate
CAS number
5347-01-3 CAS number cross-checked
EC number
653-662-3
Molecular formula
C14H15NO3
InChIKey
JORNSLGVKDYAAB-SEYXRHQNSA-N
InChI
InChI=1S/C14H15NO3/c1-4-18-14(17)13(16)12(8-15)11-7-9(2)5-6-10(11)3/h5-7,16H,4H2,1-3H3/b13-12-
Canonical SMILES
CCOC(=O)C(O)=C(C#N)c1cc(C)ccc1C
Isomeric SMILES
CCOC(=O)/C(=C(\C#N)/C1=C(C=CC(=C1)C)C)/O

Synonyms

  • Ethyl (2E)-3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate

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
245.28 g/molcalc.
Exact mass
245.1052 Dacalc.
LogP (octanol/water)
2.66calc.
Topological polar surface area
70.32 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

RefChem:854902 suppliers

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RefChem:854902 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 RefChem:854902 is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for RefChem:854902 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about RefChem:854902, based on the data on this page

What is RefChem:854902?

RefChem:854902 is a chemical substance with the molecular formula C14H15NO3 and a molar mass of 245.28 g/mol. Its CAS registry number is 5347-01-3. The IUPAC name is ethyl (E)-3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate.

What is the CAS number of RefChem:854902?

The CAS registry number of RefChem:854902 is 5347-01-3.

What is the molecular formula and weight of RefChem:854902?

The molecular formula of RefChem:854902 is C14H15NO3 and its molar mass is 245.28 g/mol.

What is RefChem:854902 used for?

Known uses and roles of RefChem:854902 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is RefChem:854902 hazardous?

RefChem:854902 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of RefChem:854902?

RefChem:854902 is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy RefChem:854902?

Post a free request on CompoundList and suppliers of RefChem:854902 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of RefChem:854902?

Suppliers quote RefChem:854902 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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