1-(4-Nitrophenyl)pent-1-en-3-one
Basic information
- CAS
38940-35-1- Standard SMILES
CCC(=O)C=Cc1ccc([N+](=O)[O-])cc1- InChIKey
UXKOHIVGWGOZBF-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)pent-1-en-3-one
- IUPAC
- 1-(4-nitrophenyl)pent-1-en-3-one
Names & synonyms
1-(4-nitrophenyl)pent-1-en-3-one38940-35-1SCHEMBL31352038DTXSID90302702
Database identifiers
- CAS
38940-35-1- PubChem CID
- 290133
- DTXSID
DTXSID90302702
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 259
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Compound notes
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