MLS000769731 structure

MLS000769731

4-hydroxy-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Also Known As: 3-hydroxy-1-(2-hydroxyethyl)-5-(3-nitrophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one|4-cinnamoyl-3-hydroxy-1-(2-hydroxyethyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one|3-Hydroxy-1-(2-hydroxy-ethyl)-5-(3-nitro-phenyl)-4-[(E)-(3-phenyl-acryloyl)]-1,5-dihydro-pyrrol-2-one|4-hydroxy-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

CAS: 333776-89-9
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 333776-89-9
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

MLS000769731 (CAS 333776-89-9), with molecular formula C21H18N2O6 and molecular weight 394.1165 g/mol. IUPAC: 4-hydroxy-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.

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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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