chempirical

3-Methoxy-4-methylbenzoic acid

C9H10O3CAS 7151-68-0166.18 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
158 °C
Boiling point
168–170 °C (at 11 Torr)
logP
1.70Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
7151-68-0
SMILES
COc1cc(C(=O)O)ccc1C
InChIKey
CEAVPXDEPGAVDA-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)

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

Names and synonyms

4 names
  • Benzoic acid, 3-methoxy-4-methyl-
  • m-Anisic acid, 4-methyl-
  • 4-Methyl-3-methoxybenzoic acid
  • NSC 70224

Work with 3-Methoxy-4-methylbenzoic 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

Veratric acid93-07-273 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-265 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-164 % similar 3,4-Dimethylbenzoic acid619-04-564 % similar 3,5-Dimethoxy-4-methylbenzoic acid61040-81-163 % similar 3-Amino-4-methoxybenzoic acid2840-26-862 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-062 % similar Isovanillic acid645-08-962 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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