Basic information
- CAS
2608-48-2- Standard SMILES
O=CC=CC=Cc1ccc([N+](=O)[O-])cc1- InChIKey
BKLWQDSDJBFRDF-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 5-(4-Nitrophenyl)penta-2,4-dienal
- IUPAC
- 5-(4-nitrophenyl)penta-2,4-dienal
Names & synonyms
5-(4-nitrophenyl)penta-2,4-dienal5-(4-Nitrophenyl)-2,4-pentadien-1-alSCHEMBL2559010DTXSID6025773AKOS030240697DB-316888
Database identifiers
- CAS
2608-48-2- PubChem CID
- 17459
- DTXSID
DTXSID6025773
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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