(S)-(+)-2-Phenylpropionic acid | SBID = 178 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 123.0 | ||
| Sum Formula: | C9H10O2 | ||
| M / g/mol: | 150.177 | ||
| Complexity: | 137.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: aromatic
- Name: (S)-(+)-2-Phenylpropionic acid
- Preferred Abbreviation: (S)-(+)-2-Phenylpropionic acid
- IUPAC Name: (2S)-2-phenylpropanoic acid
- CAS: 7782-24-3
- CID: 2724622
- InChiKey: YPGCWEMNNLXISK-ZETCQYMHSA-N
- InChi: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
- CanoSmiles: CC(C1=CC=CC=C1)C(=O)O
- IsoSmiles: C[C@@H](C1=CC=CC=C1)C(=O)O
