Basic information
- CAS
63114-82-9- Standard SMILES
CC1C(=O)C(C)C(c2ccc([N+](=O)[O-])cc2)OC1c1ccccc1- InChIKey
ILPQVDLURPGCEC-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 3,5-Dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
- IUPAC
- 3,5-dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-one
Names & synonyms
63114-82-93,5-dimethyl-2-(4-nitrophenyl)-6-phenyloxan-4-oneNSC296326DTXSID20315704NSC-296326
Database identifiers
- CAS
63114-82-9- PubChem CID
- 326148
- DTXSID
DTXSID20315704
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…