3-Hydroxy-2-methylbenzoic acid

C₈H₈O₃CAS 603-80-5152.15 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
logP: 1.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

603-80-5

SMILES

CC1=C(C=CC=C1O)C(=O)O

InChIKey

RIERSGULWXEJKL-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3,(H,10,11)

Weigh it out

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Work with 3-Hydroxy-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

2,3-Dimethylbenzoic acid603-79-266 % similar 3-Amino-2-methylbenzoic acid52130-17-364 % similar 3-Chloro-2-methylbenzoic acid7499-08-364 % similar 3-Bromo-2-methylbenzoic acid76006-33-264 % similar Salicylic acid69-72-763 % similar 2,3-Dihydroxybenzoic acid303-38-863 % similar 3-Fluoro-2-methylbenzoic acid699-90-162 % similar 3-Hydroxyanthranilic acid548-93-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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