(+-)-3-Phenyllactic acid

C9H10O3CAS 828-01-3166.18 g/mol

Open in Covalent MOL file
OOHHO
AlcoholCarboxylic acid

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
98 °C
Boiling point
136 °C (at 0.2 Torr)
logP
0.67Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
828-01-3
SMILES
O=C(O)C(O)Cc1ccccc1
InChIKey
VOXXWSYKYCBWHO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

Weigh it out

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

Names and synonyms

22 names · show all
  • (±)-3-Phenyllactic acid
  • Benzenepropanoic acid, α-hydroxy-
  • Lactic acid, 3-phenyl-, DL-
  • Benzenepropanoic acid, α-hydroxy-, (±)-
  • Lactic acid, β-phenyl-
  • α-Hydroxybenzenepropanoic acid
  • DL-β-Phenyllactic acid
  • Ba 2653
  • DL-3-Phenyllactic acid
  • DL-2-Hydroxy-3-phenylpropionic acid
  • (RS)-3-Phenyllactic acid
  • 3-Phenyllactic acid
  • β-Phenyllactic acid
  • 2-Hydroxy-3-phenylpropionic acid
  • α-Hydroxy-β-phenylpropionic acid
  • 3-Phenyl-2-hydroxypropanoic acid
  • (±)-β-Phenyllactic acid
  • 2-Hydroxy-3-phenylpropanoic acid
  • NSC 2627
  • (±)-2-Hydroxy-3-phenylpropanoic acid
  • α-Hydroxyphenylpropanoic acid
  • Dl-Phenyllactic acid

Work with (+-)-3-Phenyllactic 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

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.

(-)-3-Phenyllactic acid20312-36-1Defined stereoisomer (+)-3-Phenyllactic acid7326-19-4Defined stereoisomer

Similar compounds

(S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid23508-35-271 % similar (R)-2-Hydroxy-4-phenylbutyric acid29678-81-771 % similar (+-)-3-(4-Hydroxyphenyl)lactic acid306-23-071 % similar Benzylmalonic acid616-75-167 % similar DL-Phenylalanine150-30-161 % similar (2S)-2-Bromo-3-phenylpropanoic acid35016-63-861 % similar Phenylalanine63-91-261 % similar D-Phenylalanine673-06-361 % 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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