1-(Phenanthren-1-yl)ethanone
Basic information
- CAS
5968-48-9- Standard SMILES
CC(=O)c1cccc2c1ccc1ccccc12- InChIKey
FFNRKAWQIXXMNB-UHFFFAOYSA-N- Molecular formula
- C16H12O
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.088815
Names & identifiers
- Preferred name
- 1-(Phenanthren-1-yl)ethanone
- IUPAC
- 1-phenanthren-1-ylethanone
Names & synonyms
1-(phenanthren-1-yl)ethanone5968-48-91-(PHENANTHREN-1-YL)ETHAN-1-ONE1-phenanthren-1-ylethanoneNSC891131-acetyl-phenanthreneSCHEMBL4276654DTXSID70975079NSC-89113
Database identifiers
- CAS
5968-48-9- PubChem CID
- 259290
- DTXSID
DTXSID70975079- Nikkaji
- J35.888F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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