1-Butanone, 3-methyl-2-nitro-1-phenyl-
Basic information
- CAS
59906-55-7- Standard SMILES
CC(C)C(C(=O)c1ccccc1)[N+](=O)[O-]- InChIKey
MYZKCYIJSRUXMZ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 1-Butanone, 3-methyl-2-nitro-1-phenyl-
- IUPAC
- 3-methyl-2-nitro-1-phenylbutan-1-one
Names & synonyms
1-Butanone, 3-methyl-2-nitro-1-phenyl-59906-55-7DTXSID70341073RefChem:228899DTXCID902921543-methyl-2-nitro-1-phenylbutan-1-oneMYZKCYIJSRUXMZ-UHFFFAOYSA-N1-Butanone, 3-methyl-2-nitro-1-phenyl3-Methyl-2-nitro-1-phenyl-1-butanone #
Database identifiers
- CAS
59906-55-7- PubChem CID
- 569800
- DTXSID
DTXSID70341073
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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