3-Methylsalicylic acid

C₈H₈O₃CAS 83-40-9152.15 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
Melting point: 165.5 °C
logP: 1.40Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

83-40-9

SMILES

Cc1cccc(C(=O)O)c1O

InChIKey

WHSXTWFYRGOBGO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

17 names · show all

Benzoic acid, 2-hydroxy-3-methyl-
2,3-Cresotic acid
2-Hydroxy-3-methylbenzoic acid
3-MS
o-Cresotic acid
o-Cresotinic acid
β-Cresotinic acid
o-Homosalicylic acid
2-Hydroxy-m-toluic acid
2,3-Cresotinic acid
3-Methyl-2-hydroxybenzoic acid
Cresotinic acid
Cresotic acid
Hydroxytoluic acid
NSC 17561
NSC 1772
NSC 50796

Work with 3-Methylsalicylic 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 2-Iodo-3-methylbenzoic acid108078-14-464 % similar 2,3-Dihydroxybenzoic acid303-38-863 % similar 2,2′-Dithiobis(3-methylbenzoic acid)13363-59-262 % similar 2-Amino-3-methylbenzoic acid4389-45-162 % similar 3-Chlorosalicylic acid1829-32-961 % similar 3-Aminosalicylic acid570-23-059 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-259 % 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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