3-chloropropane-1,2-diol | SBID = 2668 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | 40.46 | ||
| Hydrophilicity (PubChem XLogP): | -0.5 | ||
| Hydrophilicity (Cheng XLogP3): | -0.49 | ||
| 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): | 1.0 | ||
| 3D Volume/Å3: | 78.0 | ||
| Sum Formula: | C3H7ClO2 | ||
| M / g/mol: | 110.54 | ||
| Complexity: | 32.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 3-chloropropane-1,2-diol
- Preferred Abbreviation: 3-Chloro-1,2-propanediol
- IUPAC Name: 3-chloropropane-1,2-diol
- CAS:
- CID: 7290
- InChiKey: SSZWWUDQMAHNAQ-UHFFFAOYSA-N
- InChi: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
- CanoSmiles: C(C(CCl)O)O
- IsoSmiles: C(C(CCl)O)O
