Basic information
- Standard SMILES
Cc1ccc2c(c1)C(C(=O)O)c1ccccc1CO2- InChIKey
UFLVKAWCXMBGJM-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
Names & identifiers
- Preferred name
- 6,11-Dihydro-2-methyldibenz[b,e]-oxepin-11-carboxylic acid
- IUPAC
- 2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
Names & synonyms
SCHEMBL8797377UFLVKAWCXMBGJM-UHFFFAOYSA-N6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxylic acid
Database identifiers
- PubChem CID
- 10106342
Properties
Computed structural properties
- XLogP
- 3
- 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
- 341
Related reactions
26 records
Compound notes
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