1-(4-Ethenylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
Basic information
- CAS
60689-02-3- Standard SMILES
C=Cc1ccc(C(=O)C=Cc2ccccc2[N+](=O)[O-])cc1- InChIKey
NOTVWONTLHAKIP-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 1-(4-Ethenylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
- IUPAC
- 1-(4-ethenylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
Names & synonyms
1-(4-Ethenylphenyl)-3-(2-nitrophenyl)prop-2-en-1-one60689-02-3SCHEMBL8965702DTXSID10709178
Database identifiers
- CAS
60689-02-3- PubChem CID
- 54122575
- DTXSID
DTXSID10709178
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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