Basic information
- Standard SMILES
C=C1c2ccccc2COc2ccc(C(=O)O)cc21- InChIKey
TVFVERWUXOCMOD-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 11-Methylene-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
- IUPAC
- 11-methylidene-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Names & synonyms
SCHEMBL10924666TVFVERWUXOCMOD-UHFFFAOYSA-N11-methylene-6,11-dihydrodibenz[b,e]oxepin-2-carboxylic acid
Database identifiers
- PubChem CID
- 12929133
- Nikkaji
- J1.272.505A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
3 records
Compound notes
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