3′-Hydroxyphenylacetic acid
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
Identifiers
CAS number
621-37-4SMILES
O=C(O)Cc1cccc(O)c1InChIKey
FVMDYYGIDFPZAX-UHFFFAOYSA-NInChI
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
8 names
- 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-Methylphenyl)acetic acid621-36-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds