Basic information
- CAS
94106-16-8- Standard SMILES
CC(=O)C(C(C)=O)c1cccc2ccccc12- InChIKey
QSCNOVZSRIZYJV-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 3-(Naphthalen-1-yl)pentane-2,4-dione
- IUPAC
- 3-naphthalen-1-ylpentane-2,4-dione
Names & synonyms
3-(Naphthalen-1-yl)pentane-2,4-dione94106-16-8SCHEMBL1667040DTXSID30549659
Database identifiers
- CAS
94106-16-8- PubChem CID
- 13794530
- DTXSID
DTXSID30549659- Nikkaji
- J579.938D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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