7,8-dihydro-13H-benzo[5,6]cyclohepta[1,2-a]naphthalen-13-one
Basic information
- CAS
42314-29-4- Standard SMILES
O=C1c2ccccc2CCc2ccc3ccccc3c21- InChIKey
XZEFEIXRLDXLPK-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 7,8-dihydro-13H-benzo[5,6]cyclohepta[1,2-a]naphthalen-13-one
- IUPAC
- tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-one
- English name
- 7,8-dihydro-13H-benzo[5,6]cyclohepta[1,2-a]naphthalen-13-one
- Molecular formula
- C19H14O
- Molecular weight
- 258.31386
Names & synonyms
7,8-dihydro-13H-benzo[5,6]cyclohepta[1,2-a]naphthalen-13-oneAM-814/41092280tetracyclo[9.8.0.03,8.014,19]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-one
Database identifiers
- CAS
42314-29-4- PubChem CID
- 1203608
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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