(S)-(+)-alpha-Methoxyphenylacetic acid | SBID = 137 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 46.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 131.3 | ||
| Sum Formula: | C9H10O3 | ||
| M / g/mol: | 166.176 | ||
| Complexity: | 150.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: (S)-(+)-alpha-Methoxyphenylacetic acid
- Preferred Abbreviation: (S)-(+)-alpha-Methoxyphenylacetic acid
- IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid
- CAS: 26164-26-1
- CID: 643325
- InChiKey: DIWVBIXQCNRCFE-QMMMGPOBSA-N
- InChi: InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m0/s1
- CanoSmiles: COC(C1=CC=CC=C1)C(=O)O
- IsoSmiles: CO[C@@H](C1=CC=CC=C1)C(=O)O
