3H-2,4-Benzodioxepine
Basic information
- CAS
264-40-4- Standard SMILES
C1=c2ccccc2=COCO1- InChIKey
GFNZOMIGOLWGNZ-UHFFFAOYSA-N- Molecular formula
- C9H8O2
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.05242949
Names & identifiers
- Preferred name
- 3H-2,4-Benzodioxepine
- IUPAC
- 2,4-benzodioxepine
Names & synonyms
264-40-43H-2,4-BenzodioxepineSCHEMBL5496277DTXSID70707014
Database identifiers
- CAS
264-40-4- PubChem CID
- 53835802
- DTXSID
DTXSID70707014
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…