chempirical

4-Methoxy-2-methylbenzoic acid

C9H10O3CAS 6245-57-4166.18 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
6245-57-4
SMILES
CC1=C(C=CC(=C1)OC)C(=O)O
InChIKey
MSVRGYOYISBGTH-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

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Work with 4-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

4-Methoxyphthalic acid1885-13-873 % similar 4-Methoxysalicylic acid2237-36-769 % similar 2-Amino-4-methoxybenzoic acid4294-95-569 % similar 2,4-Dimethoxybenzoic acid91-52-169 % similar 2-Chloro-4-methoxybenzoic acid21971-21-165 % similar 2-Fluoro-4-methoxybenzoic acid394-42-365 % similar 2,5-Dimethoxybenzoic acid2785-98-064 % similar 5-Methoxysalicylic acid2612-02-462 % 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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