4-Hydroxymethylbenzoic acid

C₈H₈O₃CAS 96937-45-0152.15 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

96937-45-0

SMILES

C1=CC(=CC=C1CO)C(=O)O

InChIKey

WWYFPDXEIFBNKE-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

4-(Hydroxymethyl)benzoic acid

Work with 4-Hydroxymethylbenzoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Hydroxymethyl)benzoic acid3006-96-0

Similar compounds

Terephthalic acid100-21-065 % similar 4-(Chloromethyl)benzoic acid1642-81-562 % similar 4-(Aminomethyl)benzoic acid56-91-762 % similar 4-Ethylbenzoic acid619-64-762 % similar 4-(Bromomethyl)benzoic acid6232-88-862 % similar 3-(Hydroxymethyl)-benzoic acid28286-79-561 % similar 4-Propylbenzoic acid2438-05-360 % similar 4-Carboxybenzeneacetic acid501-89-360 % 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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