1-(Phenanthren-9-yl)propan-1-one
Basic information
- CAS
6327-86-2- Standard SMILES
CCC(=O)c1cc2ccccc2c2ccccc12- InChIKey
SWZSRWSAYAXIBW-UHFFFAOYSA-N- Molecular formula
- C17H14O
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.10446507
Names & identifiers
- Preferred name
- 1-(Phenanthren-9-yl)propan-1-one
- IUPAC
- 1-phenanthren-9-ylpropan-1-one
Names & synonyms
1-(phenanthren-9-yl)propan-1-one6327-86-2DTXSID50280597RefChem:226908DTXCID002317511-Propanone,1-(9-phenanthrenyl)-NSC17543CHEMBL451355NSC-17543
Database identifiers
- CAS
6327-86-2- PubChem CID
- 226779
- DTXSID
DTXSID50280597- ChEMBL
CHEMBL451355- Nikkaji
- J1.194.364K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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