Basic information
- CAS
621-21-6- Standard SMILES
O=C(C=Cc1cccc([N+](=O)[O-])c1)C=Cc1cccc([N+](=O)[O-])c1- InChIKey
ZPQURSDVJWZXLQ-UHFFFAOYSA-N- Molecular formula
- C17H12N2O5
- Average molar mass
- 324.29 g/mol
- Monoisotopic mass
- 324.07462149
Names & identifiers
- Preferred name
- 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one
- IUPAC
- 1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one
Names & synonyms
1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-oneSCHEMBL2744320DTXSID001267126NS000437061,5-Bis(3-nitrophenyl)-1,4-pentadien-3-one
Database identifiers
- CAS
621-21-6- PubChem CID
- 95358
- DTXSID
DTXSID001267126- EC Number
- 210-672-9
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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