13H-Indeno(1,2-c)phenanthren-13-one
Basic information
- CAS
86854-03-7- Standard SMILES
O=C1c2ccccc2-c2ccc3ccc4ccccc4c3c21- InChIKey
NMECCCMBJFTPJS-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 13H-Indeno(1,2-c)phenanthren-13-one
- IUPAC
- pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-one
Names & synonyms
13H-Indeno(1,2-c)phenanthren-13-oneCCRIS 801186854-03-78J66JJ2KPG13H-indeno[1,2-c]phenanthren-13-oneDTXSID80235873PENTACYCLO(11.8.0.02,10.04,9.016,21)HENICOSA-1(13),2(10),4,6,8,11,14,16,18,20-DECAEN-3-ONERefChem:78531DTXCID10158364UNII-8J66JJ2KPG
Database identifiers
- CAS
86854-03-7- PubChem CID
- 150744
- DTXSID
DTXSID80235873- UNII
- 8J66JJ2KPG
- Nikkaji
- J1.596.454E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
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Related reactions
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Compound notes
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