Basic information
- CAS
13728-49-9- Standard SMILES
O=C1Cc2cccc3cc4c(ccc5ccccc54)c1c23- InChIKey
MHLZQIIARJSAIM-UHFFFAOYSA-N- Molecular formula
- C20H12O
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.088815
Names & identifiers
- Preferred name
- 1-Cholanthrenone
- IUPAC
- 2H-benzo[j]aceanthrylen-1-one
Names & synonyms
1-Cholanthrenone13728-49-9NSC172535DTXSID70305892Cyclopenta[ij]tetraphen-1(2H)-oneNSC-172535
Database identifiers
- CAS
13728-49-9- PubChem CID
- 299463
- DTXSID
DTXSID70305892
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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