4-(4-Methoxyphenyl)-5-nitropentan-2-one
Basic information
- CAS
1574-87-4- Standard SMILES
COc1ccc(C(CC(C)=O)C[N+](=O)[O-])cc1- InChIKey
WCEZHNWCTGFEQD-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-5-nitropentan-2-one
- IUPAC
- 4-(4-methoxyphenyl)-5-nitropentan-2-one
Names & synonyms
4-(4-methoxyphenyl)-5-nitropentan-2-one1574-87-4DTXSID10302800RefChem:288112DTXCID60253934NSC153689SCHEMBL27204479NSC-1536894-(4-methoxyphenyl)-5-nitro-2-pentanone
Database identifiers
- CAS
1574-87-4- PubChem CID
- 290381
- DTXSID
DTXSID10302800
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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