Basic information
- CAS
64780-22-9- Standard SMILES
CCC(C(=O)c1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
ZIGNKABLFIYARZ-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-(4-nitrophenyl)butan-1-one
- IUPAC
- 1-(4-methoxyphenyl)-2-(4-nitrophenyl)butan-1-one
Names & synonyms
1-(4-Methoxyphenyl)-2-(4-nitrophenyl)butan-1-one64780-22-9DTXSID90494934
Database identifiers
- CAS
64780-22-9- PubChem CID
- 12372992
- DTXSID
DTXSID90494934
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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