3'-Hydroxyphenylacetic acid

C8H8O3CAS 621-37-4152.15 g/mol

Open in Covalent MOL file
OHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Melting point
132 °C
Boiling point
190 °C
logP
1.02Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
621-37-4
SMILES
O=C(O)Cc1cccc(O)c1
InChIKey
FVMDYYGIDFPZAX-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(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

9 names
  • 3′-Hydroxyphenylacetic acid
  • Benzeneacetic acid, 3-hydroxy-
  • Acetic acid, (m-hydroxyphenyl)-
  • 3-Hydroxybenzeneacetic acid
  • (3-Hydroxyphenyl)acetic acid
  • (m-Hydroxyphenyl)acetic acid
  • 2-(3-Hydroxyphenyl)acetic acid
  • NSC 14360
  • 2-(3′-Hydroxyphenyl)acetic acid

Work with 3'-Hydroxyphenylacetic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Benzenediacetic acid19806-17-875 % similar 3-(3'-Hydroxyphenyl)propionic acid621-54-570 % similar 3,5-Dihydroxyphenylacetic acid4670-09-167 % similar (3-Chlorophenyl)acetic acid1878-65-564 % similar 3-Fluorophenylacetic acid331-25-964 % similar (3-Aminophenyl)acetic acid14338-36-462 % similar 3-Bromophenylacetic acid1878-67-762 % similar 3-Iodophenylacetic acid1878-69-962 % 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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