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Screening compounds

Daldinal A

CAS 160889-21-4Formula C17H18O6Molar mass 318.33 g/mol
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Daldinal A chemical structure, C17H18O6, CAS 160889-21-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
160889-21-4
Formula
C17H18O6
Molar mass
318.33 g/mol
HS code
291450
Category
Screening compounds

What is Daldinal A?

Plain description, key identifiers and synonyms

Daldinal A is a chemical substance with the molecular formula C17H18O6 and a molar mass of 318.33 g/mol. Its CAS registry number is 160889-21-4. The IUPAC name is [5-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]-(2-hydroxy-3-methoxy-5-methylphenyl)methanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[5-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]-(2-hydroxy-3-methoxy-5-methylphenyl)methanone
CAS number
160889-21-4
Molecular formula
C17H18O6
InChIKey
DMLPSHKMYWQWIL-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O6/c1-9-4-12(17(21)15(5-9)23-3)16(20)11-6-10(19)7-14(22-2)13(11)8-18/h4-7,18-19,21H,8H2,1-3H3
SMILES (canonical and isomeric)
CC1=CC(=C(C(=C1)OC)O)C(=O)C2=C(C(=CC(=C2)O)OC)CO

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
318.33 g/molcalc.
Exact mass
318.1103 Dacalc.
LogP (octanol/water)
2.15calc.
Topological polar surface area
96.22 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
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, O=C(c1ccccc1)c1ccccc1

O=C(c1ccccc1)c1ccccc1

2 rings, 14 atoms, the Benzophenone ring system.

5,108 other chemicals share this scaffold

Safety 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.

Daldinal A suppliers

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Daldinal A 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 Daldinal A is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Daldinal A, based on the data on this page

What is Daldinal A?

Daldinal A is a chemical substance with the molecular formula C17H18O6 and a molar mass of 318.33 g/mol. Its CAS registry number is 160889-21-4. The IUPAC name is [5-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]-(2-hydroxy-3-methoxy-5-methylphenyl)methanone.

What is the CAS number of Daldinal A?

The CAS registry number of Daldinal A is 160889-21-4.

What is the molecular formula and weight of Daldinal A?

The molecular formula of Daldinal A is C17H18O6 and its molar mass is 318.33 g/mol.

What is Daldinal A used for?

Known uses and roles of Daldinal A include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Daldinal A hazardous?

No GHS hazard classification for Daldinal A is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Daldinal A?

Daldinal A is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Daldinal A?

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

What is the price of Daldinal A?

Suppliers quote Daldinal A 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

Practical guides that help when you source, ship or handle Daldinal A

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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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