3-(Hydroxymethyl)-benzoic acid

C₈H₈O₃CAS 28286-79-5152.15 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₈H₈O₃
Molar mass: 152.15 g/mol
Exact mass: 152.0473 Da
logP: 0.88Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 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

28286-79-5

SMILES

C1=CC(=CC(=C1)C(=O)O)CO

InChIKey

UOKBFIOAEPCADP-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)

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Names and synonyms

1 names

Benzoic acid, 3-(hydroxymethyl)-

Work with 3-(Hydroxymethyl)-benzoic 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

3-Aminomethylbenzoic acid2393-20-667 % similar 3-(Chloromethyl)benzoic acid31719-77-467 % similar 3-(Bromomethyl)benzoic acid6515-58-867 % similar Isophthalic acid121-91-564 % similar 4-(Hydroxymethyl)benzoic acid3006-96-061 % similar 3-(Aminomethyl)benzoic acid hydrochloride876-03-961 % similar 3-Fluorobenzoic acid455-38-955 % similar 3-Chlorobenzoic acid535-80-855 % 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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