AC1NXXN4
4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Also Known As: BAS 01029174|SR-01000361506-1|4-cinnamoyl-3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one|3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one|4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CAS: 333776-91-3
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.1165 g/mol |
| LogP | 2.565 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1165 |
| Monoisotopic Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1012.8412 |
Chemical Identifiers
| CAS Number | 333776-91-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3[N+](=O)[O-])CCO)O |
Product Overview
AC1NXXN4 (CAS 333776-91-3), with molecular formula C21H18N2O6 and molecular weight 394.1165 g/mol. IUPAC: 4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
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.
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