Basic information
- CAS
4599-92-2- Standard SMILES
O=C1c2ccccc2-c2ccc3c(ccc4ccccc43)c21- InChIKey
WNGJVBQGZZVCHG-UHFFFAOYSA-N- Molecular formula
- C21H12O
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.088815
Names & identifiers
- Preferred name
- 11H-Indeno(2,1-A)phenanthren-11-one
- IUPAC
- indeno[2,1-a]phenanthren-11-one
Names & synonyms
11H-INDENO(2,1-A)PHENANTHREN-11-ONE4599-92-211H-indeno[2,1-a]phenanthren-11-oneDTXSID20196676
Database identifiers
- CAS
4599-92-2- PubChem CID
- 20729
- DTXSID
DTXSID20196676- Nikkaji
- J1.554.319A
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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