chempirical

2-Methoxy-4-methylbenzoic acid

C9H10O3CAS 704-45-0166.18 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
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
704-45-0
SMILES
CC1=CC(=C(C=C1)C(=O)O)OC
InChIKey
SOWDWUPMHVDZGL-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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

Work with 2-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

2-Methoxy-5-methylbenzoic acid25045-36-776 % similar 2,4-Dimethoxybenzoic acid91-52-169 % similar 4-Amino-2-methoxybenzoic acid2486-80-865 % similar 4-Fluoro-2-methoxybenzoic acid395-82-465 % similar 4-Chloro-2-methoxybenzoic acid57479-70-665 % similar 4-Methylphthalic acid4316-23-864 % similar 2-Amino-4-methylbenzoic acid2305-36-463 % similar 2,4,5-Trimethoxybenzoic acid490-64-262 % 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

PubChem CAS Common Chemistry NIST WebBook