7H-Indeno(2,1-A)phenanthren-7-one
Basic information
- CAS
86853-95-4- Standard SMILES
O=C1c2ccccc2-c2c1ccc1c2ccc2ccccc21- InChIKey
SONFERXDDXFELI-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 7H-Indeno(2,1-A)phenanthren-7-one
- IUPAC
- pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one
Names & synonyms
7H-INDENO(2,1-A)PHENANTHREN-7-ONE86853-95-47H-indeno[1,2-a]phenanthren-7-oneDTXSID00235870
Database identifiers
- CAS
86853-95-4- PubChem CID
- 55577
- DTXSID
DTXSID00235870- Nikkaji
- J2.430.306C
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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Compound notes
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