Pinacolyl methylphosphonic acid | SBID = 1622 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 46.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| 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: | 141.2 | ||
| Sum Formula: | C7H17O3P | ||
| M / g/mol: | 180.18 | ||
| Complexity: | 171.0 | ||
| Number of Conformers: | 8.0 |
Identifiers
- Tags: typical guest
- Name: Pinacolyl methylphosphonic acid
- Preferred Abbreviation: Pinacolyl methylphosphonic acid
- IUPAC Name: 3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid
- CAS: 616-52-4
- CID: 12026
- InChiKey: BLALDUPQYCGKAG-UHFFFAOYSA-N
- InChi: InChI=1S/C7H17O3P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3,(H,8,9)
- CanoSmiles: CC(C(C)(C)C)OP(=O)(C)O
- IsoSmiles: CC(C(C)(C)C)OP(=O)(C)O
