Benzo[l]cyclopenta[cd]pyren-1(2h)-one
Basic information
- CAS
113779-21-8- Standard SMILES
O=C1CC=Cc2c1c1ccc3c4c(cc5cccc2c5c14)C=C3- InChIKey
DMNRZKZCVKWWBI-UHFFFAOYSA-N- Molecular formula
- C22H12O
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.088815
Names & identifiers
- Preferred name
- Benzo[l]cyclopenta[cd]pyren-1(2h)-one
- IUPAC
- hexacyclo[16.3.1.04,21.07,20.08,13.014,19]docosa-1(22),2,4(21),5,7(20),8(13),11,14,16,18-decaen-9-one
Names & synonyms
113779-21-8benzo[l]cyclopenta[cd]pyren-1(2h)-oneDTXSID10921191Benzo(l)cyclopenta(cd)pyren-10(9H)-one
Database identifiers
- CAS
113779-21-8- PubChem CID
- 188809
- DTXSID
DTXSID10921191
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 601
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Compound notes
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