Basic information
- CAS
41768-55-2- Standard SMILES
CC(=O)C(C=CC(=O)c1ccccc1)[N+](=O)[O-]- InChIKey
NLGHNKHWOHDUDX-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 4-Nitro-1-phenylhex-2-ene-1,5-dione
- IUPAC
- 4-nitro-1-phenylhex-2-ene-1,5-dione
Names & synonyms
4-nitro-1-phenylhex-2-ene-1,5-dione41768-55-2DTXSID70785574
Database identifiers
- CAS
41768-55-2- PubChem CID
- 71361925
- DTXSID
DTXSID70785574
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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