(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid | SBID = 139 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 46.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 162.0 | ||
| Sum Formula: | C10H9F3O3 | ||
| M / g/mol: | 234.174 | ||
| Complexity: | 259.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: (S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
- Preferred Abbreviation: (S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
- IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
- CAS: 17257-71-5
- CID: 6992788
- InChiKey: JJYKJUXBWFATTE-VIFPVBQESA-N
- InChi: InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m0/s1
- CanoSmiles: COC(C1=CC=CC=C1)(C(=O)O)C(F)(F)F
- IsoSmiles: CO[C@@](C1=CC=CC=C1)(C(=O)O)C(F)(F)F
