Bisphenol A | SBID = 187 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 187.1 | ||
| Sum Formula: | C15H16O2 | ||
| M / g/mol: | 228.291 | ||
| Complexity: | 209.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest
- Name: Bisphenol A
- Preferred Abbreviation: Bisphenol A
- IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
- CAS: 80-05-7
- CID: 6623
- InChiKey: IISBACLAFKSPIT-UHFFFAOYSA-N
- InChi: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
- CanoSmiles: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
- IsoSmiles: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
