Basic information
- Standard SMILES
C=C1C2=C(C=CC1C(=O)OC)OCc1ccccc1C2- InChIKey
WFCLXGBIPLYRHO-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
Names & identifiers
- Preferred name
- Methyl 1-methylene-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate
- IUPAC
- methyl 1-methylidene-6,11-dihydro-2H-benzo[c][1]benzoxepine-2-carboxylate
Names & synonyms
SCHEMBL9468920WFCLXGBIPLYRHO-UHFFFAOYSA-Nmethyl 1-methylene-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate
Database identifiers
- PubChem CID
- 19797490
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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