Propiophenone, 4'-nitroso-
Basic information
- CAS
53033-81-1- Standard SMILES
CCC(=O)c1ccc(N=O)cc1- InChIKey
VUHULBJCIYOTTK-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- Propiophenone, 4'-nitroso-
- IUPAC
- 1-(4-nitrosophenyl)propan-1-one
- English name
- para-Nitrosopropiophenone
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
p-Nitrosopropiophenone4-NitrosopropiophenonePropiophenone, 4'-nitroso-53033-81-1BRN 2574917DTXSID80201078RefChem:375495DTXCID801235691-(4-nitrosophenyl)propan-1-onePARA-NITROSOPROPIOPHENONESCHEMBL13455429DB-277319
Show more names
1-Propanone, 1-(4-nitrosophenyl)-
Database identifiers
- CAS
53033-81-1- PubChem CID
- 104382
- DTXSID
DTXSID80201078
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 292 · 292.0±23.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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