chempirical

4-(Hydroxymethyl)benzoic acid

C8H8O3CAS 3006-96-0152.15 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
181–182 °C
Boiling point
140–150 °C (at 9 Torr)
logP
0.88Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
3006-96-0
SMILES
O=C(O)c1ccc(CO)cc1
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

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

Names and synonyms

6 names
  • Benzoic acid, 4-(hydroxymethyl)-
  • p-Toluic acid, α-hydroxy-
  • p-(Hydroxymethyl)benzoic acid
  • α-Hydroxy-p-toluic acid
  • p-Carboxybenzyl alcohol
  • 4-Carboxybenzyl alcohol

Work with 4-(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

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 4-Propylbenzoic acid2438-05-360 % similar 4-Carboxybenzeneacetic acid501-89-360 % similar 4-(2-Bromoethyl)benzoic acid52062-92-760 % 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

PubChem CAS Common Chemistry NIST WebBook