Benzo(pqr)tetraphene-10-carboxylic acid, 9,10-dihydro-
Basic information
- CAS
86803-25-0- Standard SMILES
O=C(O)C1CC=Cc2cc3ccc4cccc5ccc(c21)c3c45- InChIKey
OJBJYZSONPIRLD-UHFFFAOYSA-N- Molecular formula
- C21H14O2
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.09937969
Names & identifiers
- Preferred name
- Benzo(pqr)tetraphene-10-carboxylic acid, 9,10-dihydro-
- IUPAC
- 9,10-dihydrobenzo[a]pyrene-10-carboxylic acid
Names & synonyms
86803-25-0Benzo(pqr)tetraphene-10-carboxylic acid, 9,10-dihydro-RefChem:3263959,10-Dihydrobenzo(pqr)tetraphene-10-carboxylic acid9,10-dihydrobenzo[pqr]tetraphene-10-carboxylic acidDTXSID601007099
Database identifiers
- CAS
86803-25-0- PubChem CID
- 186372
- DTXSID
DTXSID601007099
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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