(S)-Mandelic acid
Properties
- Molecular formula
- C8H8O3
- Molar mass
- 152.15 g/mol
- Exact mass
- 152.0473 Da
- Melting point
- 134 °C
- logP
- 0.80Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
17199-29-0SMILES
O=C(O)[C@@H](O)c1ccccc1InChIKey
IWYDHOAUDWTVEP-ZETCQYMHSA-NInChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
18 names · show all
- Benzeneacetic acid, α-hydroxy-, (αS)-
- Mandelic acid, L-(+)-
- Benzeneacetic acid, α-hydroxy-, (S)-
- (αS)-α-Hydroxybenzeneacetic acid
- L-Mandelic acid
- (+)-Mandelic acid
- (S)-(+)-Mandelic acid
- (+)-(S)-Mandelic acid
- (S)-α-Hydroxybenzeneacetic acid
- L-(+)-Mandelic acid
- (+)-α-Hydroxyphenylacetic acid
- (S)-(+)-Hydroxyphenylacetic acid
- (S)-2-Hydroxy-2-(phenyl)ethanoic acid
- (S)-2-Hydroxy-2-phenylacetic acid
- (2S)-2-Hydroxy-2-(phenyl)ethanoic acid
- (S)-α-Hydroxyphenylacetic acid
- (S)-Amygdalic acid
- (2S)-2-Hydroxy-2-phenylacetic acid
Work with (S)-Mandelic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
4-Hydroxymandelic acid1198-84-168 % similar
(R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-963 % similar
4-Fluoromandelic acid395-33-563 % similar
4-Chloromandelic acid492-86-463 % similar
4-Bromomandelic acid6940-50-763 % similar
4-Bromomandelic acid7021-04-763 % similar
4-Chloromandelic acid7138-34-363 % similar
Diphenylacetic acid117-34-063 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.