chempirical

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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

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