Basic information
- Standard SMILES
CC=CC1OCc2ccccc2CO1- InChIKey
CGRYTSMXFGBKHA-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- 3-(1-propenyl)-1,5-dihydro-3H-2,4-benzodioxepine
- IUPAC
- 3-prop-1-enyl-1,5-dihydro-2,4-benzodioxepine
Names & synonyms
SCHEMBL6759149CGRYTSMXFGBKHA-UHFFFAOYSA-N3-(1-propenyl)-1,5-dihydro-3H-2,4-benzodioxepine
Database identifiers
- PubChem CID
- 53720123
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Related reactions
2 records
Compound notes
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