3-Nitrobenzylidene cyanoacetic acid
2-cyano-3-(3-nitrophenyl)prop-2-enoic acid
Also Known As: 3-nitrobenzylidene cyanoacetic acid|2-cyano-3-(3-nitrophenyl)prop-2-enoic acid|(Z)-2-cyano-3-(3-nitrophenyl)prop-2-enoic acid|(2E)-2-CYANO-3-(3-NITROPHENYL)ACRYLIC ACID
CAS: 5468-46-2
| Molecular Formula | C10H6N2O4 |
|---|---|
| Molecular Weight | 218.03276 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.03276 |
| Monoisotopic Mass | 218.03276 |
| Heavy Atoms | 16 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 5468-46-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C#N)C(=O)O |
| InChIKey | PJGINNBZKZIMNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (11 patents)
Organic Building Blocks (4 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
3-Nitrobenzylidene cyanoacetic acid (CAS 5468-46-2), with molecular formula C10H6N2O4 and molecular weight 218.03276 g/mol. IUPAC: 2-cyano-3-(3-nitrophenyl)prop-2-enoic 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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