4-(Hydroxymethyl)phenylacetic acid

C9H10O3CAS 73401-74-8166.18 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
0.81Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
73401-74-8
SMILES
C1=CC(=CC=C1CC(=O)O)CO
InChIKey
FWZBPBKAANKOJQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)

Weigh it out

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

Work with 4-(Hydroxymethyl)phenylacetic 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

1,4-Benzenediacetic acid7325-46-478 % similar 4-Hydroxyphenylacetic acid156-38-764 % similar Phenylacetic acid103-82-263 % similar 4-Aminophenylacetic acid1197-55-362 % similar 4-(Bromomethyl)phenylacetic acid13737-36-562 % similar 4-Iodophenylacetic acid1798-06-762 % similar (4-Chlorophenyl)acetic acid1878-66-662 % similar 4-Bromophenylacetic acid1878-68-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook