Basic information
- Standard SMILES
O=C(O)C1=c2ccccc2=CC=C2CC=CC=C21- InChIKey
DJIPWEOGNDCOHM-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- Dibenzo[a,d]cycloheptene-5-carboxylic acid
- IUPAC
- tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaene-2-carboxylic acid
Names & synonyms
SCHEMBL7724070DJIPWEOGNDCOHM-UHFFFAOYSA-NDibenzo[a,d]cycloheptene-5-carboxylic acid
Database identifiers
- PubChem CID
- 86758577
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 632
Related reactions
4 records
Compound notes
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