1,3,5-trioxane | SBID = 1270 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 27.7 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 62.5 | ||
| Sum Formula: | C3H6O3 | ||
| M / g/mol: | 90.08 | ||
| Complexity: | 21.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1,3,5-trioxane
- Preferred Abbreviation: 1,3,5-Trioxane
- IUPAC Name: 1,3,5-trioxane
- CAS: 110-88-3
- CID: 8081
- InChiKey: BGJSXRVXTHVRSN-UHFFFAOYSA-N
- InChi: InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
- CanoSmiles: C1OCOCO1
- IsoSmiles: C1OCOCO1
