4-Methoxy-3-methylbenzoic acid

C9H10O3CAS 6880-04-2166.18 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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6880-04-2
SMILES
CC1=C(C=CC(=C1)C(=O)O)OC
InChIKey
DNMUMZLKDOZMEY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(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 4-Methoxy-3-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-Methyl-m-anisic acid7151-68-076 % similar Veratric acid93-07-273 % similar 3-Iodo-4-methoxybenzoic acid68507-19-769 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-169 % similar 3-Amino-4-methoxybenzoic acid2840-26-867 % similar Isovanillic acid645-08-967 % similar 3-Chloro-p-anisic acid37908-96-665 % similar 3-Fluoro-4-methoxybenzoic acid403-20-365 % 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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