5-o-Nitrophenyl-2,4-pentadienoic acid
5-(2-nitrophenyl)penta-2,4-dienoic acid
Also Known As: NCIOpen2_004584|5-(2-nitrophenyl)penta-2,4-dienoic acid|5-o-nitrophenyl-2,4-pentadienoic acid|(2E,4E)-5-(2-nitrophenyl)penta-2,4-dienoic acid
CAS: 91092-94-3
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05316 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Monoisotopic Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 91092-94-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC=CC(=O)O)[N+](=O)[O-] |
| InChIKey | IJXZQTLMGOOIAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (23 patents)
Organic Building Blocks (12 patents)
Pharmaceutical Intermediates (11 patents)
Product Overview
5-o-Nitrophenyl-2,4-pentadienoic acid (CAS 91092-94-3), with molecular formula C11H9NO4 and molecular weight 219.05316 g/mol. IUPAC: 5-(2-nitrophenyl)penta-2,4-dienoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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