chempirical

2-Methoxy-6-methylbenzoic acid

C9H10O3CAS 6161-65-5166.18 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
137–138 °C
Boiling point
140 °C (at 18 Torr)
logP
1.70Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6161-65-5
SMILES
COc1cccc(C)c1C(=O)O
InChIKey
MICCJGFEXKNBLU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

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Names and synonyms

3 names
  • Benzoic acid, 2-methoxy-6-methyl-
  • o-Anisic acid, 6-methyl-
  • NSC 118167

Work with 2-Methoxy-6-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

2,6-Dimethoxybenzoic acid1466-76-877 % similar 2,6-Dimethylbenzoic acid632-46-268 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-667 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-865 % similar 2-Chloro-6-methylbenzoic acid21327-86-658 % similar Ethyl 2-methoxy-6-methylbenzoate6520-83-856 % similar O-Anisic acid579-75-956 % similar 2,3-Dimethoxybenzoic acid1521-38-655 % 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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