Methyl (αS)-α-hydroxybenzenepropanoate
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Density
- 1.129 g/mL (at 20 °C)
- Melting point
- 45–47 °C
- Boiling point
- 110–115 °C (at 3 Torr)
- logP
- 0.76Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
13673-95-5SMILES
COC(=O)[C@@H](O)Cc1ccccc1InChIKey
NMPPJJIBQQCOOI-VIFPVBQESA-NInChI
InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
20 names · show all
- Benzenepropanoic acid, α-hydroxy-, methyl ester, (αS)-
- Lactic acid, 3-phenyl-, methyl ester, L-
- Benzenepropanoic acid, α-hydroxy-, methyl ester, (S)-
- L-β-Phenyllactic acid methyl ester
- Methyl β-phenyl-L-lactate
- Methyl L-phenyllactate
- (S)-β-Phenyllactic acid methyl ester
- Methyl (S)-α-hydroxy-β-phenylpropionate
- Methyl L-2-hydroxy-3-phenylpropionate
- Papulin
- Methyl (S)-(-)-3-phenyllactate
- Methyl 3-phenyl-L-lactate
- Methyl (S)-3-phenyllactate
- (-)-3-Phenyllactic acid methyl ester
- (αS)-α-Hydroxybenzenepropanoic acid methyl ester
- (2S)-2-Hydroxy-3-phenylpropionic acid methyl ester
- Methyl (2S)-2-hydroxy-3-phenylpropanoate
- (S)-2-Hydroxy-3-phenylpropionic acid methyl ester
- Methyl (S)-2-hydroxy-3-phenylpropanoate
- Papuline
Work with Methyl (αS)-α-hydroxybenzenepropanoate
Similar compounds
Phenylalanine methyl ester2577-90-462 % similar
Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar
(±)-Phenylalanine methyl ester hydrochloride5619-07-857 % similar
Methyl L-phenylalaninate hydrochloride7524-50-757 % similar
(-)-3-Phenyllactic acid20312-36-156 % similar
(+)-3-Phenyllactic acid7326-19-456 % similar
(±)-3-Phenyllactic acid828-01-356 % similar
(±)-Methyl mandelate4358-87-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds