chempirical

Veratric acid

C9H10O4CAS 93-07-2182.17 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
181 °C
logP
1.40Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
93-07-2
SMILES
COc1ccc(C(=O)O)cc1OC
InChIKey
DAUAQNGYDSHRET-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 3,4-dimethoxy-
  • 3,4-Dimethoxybenzoic acid
  • Dimethylprotocatechuic acid
  • NSC 7721
  • 3,4-Bis(methyloxy)benzoic acid

Work with Veratric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3′,4′-Dimethoxy[1,1′-biphenyl]-4-carboxylic acid122294-10-476 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-175 % similar 3-Amino-4-methoxybenzoic acid2840-26-873 % similar Isovanillic acid645-08-973 % similar 3-Methoxy-4-methylbenzoic acid7151-68-073 % similar 3-Chloro-4-methoxybenzoic acid37908-96-671 % similar 3-Fluoro-4-methoxybenzoic acid403-20-371 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-271 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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