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(-)-3-Phenyllactic Acid
CAS: 20312-36-1 | C9H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20312-36-1
Molecular Formula:
C9H10O3
Molecular Mass:
166.18 g/mol
Names and Synonyms:
(-)-3-Phenyllactic Acid
Benzenepropanoic acid, α-hydroxy-, (αS)-
Lactic acid, 3-phenyl-, (S)-
Benzenepropanoic acid, α-hydroxy-, (S)-
(αS)-α-Hydroxybenzenepropanoic acid
L-β-Phenyllactic acid
L-2-Hydroxy-3-phenylpropionic acid
β-Phenyl-L-lactic acid
S-(-)-3-Phenyllactic acid
(S)-2-Hydroxy-3-phenylpropionic acid
(S)-Phenyllactic acid
(-)-2-Hydroxy-3-phenylpropionic acid
(S)-2-Hydroxy-3-phenylpropanoic acid
(2S)-2-Hydroxy-3-phenylpropionic acid
L-(-)-3-Phenyllactic acid
(S)-β-Phenyllactic acid
L-3-Phenyllactic acid
(-)-3-Phenyllactic acid
(S)-3-Phenyllactic acid
(-)-β-Phenyllactic acid
L-Phenyllactic acid
(-)-2-Hydroxy-3-phenylpropanoic acid
3-(S)-Phenyl lactic acid
(2S)-2-Hydroxy-3-phenylpropanoic acid
(2S)-2-Hydroxy-3-phenylpropanoic acid
Identifiers:
SMILES:
O=C(O)[C@@H](O)Cc1ccccc1
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)/t8-/m0/s1
Key Properties
Melting Point
121 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.18 g/mol | CAS Common Chemistry |
| 166.17600000000002 g/mol | RDKit | |
| 166.06299417999998 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)CC=1C=CC=CC1 | CAS Common Chemistry |
| 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)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VOXXWSYKYCBWHO-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 121 °C | CAS Common Chemistry |
| Name | (-)-3-Phenyllactic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.6746000000000002 | RDKit |
| Molar Refractivity | 43.788600000000024 | RDKit |
