chempirical

3-Methoxy-2-methylbenzoic acid

C9H10O3CAS 55289-06-0166.18 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
logP
1.70Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55289-06-0
SMILES
CC1=C(C=CC=C1OC)C(=O)O
InChIKey
JPCISVSOTKMFPG-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)

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Work with 3-Methoxy-2-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-Methoxybenzoic acid529-75-970 % similar o-Anisic acid579-75-970 % similar 2,3-Dimethoxybenzoic acid1521-38-669 % similar 3-Methoxysalicylic acid877-22-567 % similar 3-Acetoxy-O-toluic acid168899-58-966 % similar 2-Fluoro-3-methoxybenzoic acid137654-20-765 % similar 2-Amino-3-methoxybenzoic acid3177-80-865 % similar 3-Amino-2-methylbenzoic acid52130-17-363 % 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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