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(S)-(-)-3-Phenyllactic acid | SBID = 176 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 57.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 131.4 | ||
| Sum Formula: | C9H10O3 | ||
| M / g/mol: | 166.176 | ||
| Complexity: | 150.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: (S)-(-)-3-Phenyllactic acid
- Preferred Abbreviation: (S)-3-Phenyllactic acid
- IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid
- CAS: 20312-36-1
- CID: 444718
- InChiKey: VOXXWSYKYCBWHO-QMMMGPOBSA-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)/t8-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)CC(C(=O)O)O
- IsoSmiles: C1=CC=C(C=C1)C[C@@H](C(=O)O)O
