1,3-Benzodioxol-5-ol | SBID = 273 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 38.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | 102.5 | ||
| Sum Formula: | C7H6O3 | ||
| M / g/mol: | 138.122 | ||
| Complexity: | 126.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: antioxidant, typical guest
- Name: 1,3-Benzodioxol-5-ol
- Preferred Abbreviation: Sesamol
- IUPAC Name: 1,3-benzodioxol-5-ol
- CAS: 533-31-3
- CID: 68289
- InChiKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
- InChi: InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
- CanoSmiles: C1OC2=C(O1)C=C(C=C2)O
- IsoSmiles: C1OC2=C(O1)C=C(C=C2)O
