Basic information
- CAS
34506-75-7- Standard SMILES
O=C1C=CC(=O)C1=Cc1ccc([N+](=O)[O-])cc1- InChIKey
WIPYWROTIYASJK-UHFFFAOYSA-N- Molecular formula
- C12H7NO4
- Average molar mass
- 229.19 g/mol
- Monoisotopic mass
- 229.0375077
Names & identifiers
- Preferred name
- 2-[(4-Nitrophenyl)methylidene]cyclopent-4-ene-1,3-dione
- IUPAC
- 2-[(4-nitrophenyl)methylidene]cyclopent-4-ene-1,3-dione
Names & synonyms
34506-75-72-[(4-nitrophenyl)methylidene]cyclopent-4-ene-1,3-dioneNSC268353DTXSID00313268NSC-268353
Database identifiers
- CAS
34506-75-7- PubChem CID
- 320487
- DTXSID
DTXSID00313268
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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