Basic information
- CAS
65201-67-4- Standard SMILES
Cc1ccc(C(=O)C=Cc2ccc([N+](=O)[O-])o2)cc1- InChIKey
OLTKPDZDWMVIPP-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-, (E)-
- IUPAC
- 1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Names & synonyms
2-Propen-1-one, 1-(4-methylphenyl)-3-(5-nitro-2-furanyl)-, (E)-1-(4-Methylphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one65201-67-4DTXSID60275378
Database identifiers
- CAS
65201-67-4- PubChem CID
- 36032
- DTXSID
DTXSID60275378
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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