Propylene carbonate | SBID = 1269 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 35.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| 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: | 76.4 | ||
| Sum Formula: | C4H6O3 | ||
| M / g/mol: | 102.09 | ||
| Complexity: | 88.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: typical guest
- Name: Propylene carbonate
- Preferred Abbreviation: Propylene carbonate
- IUPAC Name: 4-methyl-1,3-dioxolan-2-one
- CAS: 108-32-7
- CID: 7924
- InChiKey: RUOJZAUFBMNUDX-UHFFFAOYSA-N
- InChi: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
- CanoSmiles: CC1COC(=O)O1
- IsoSmiles: CC1COC(=O)O1
