AC1O2KJQ structure

AC1O2KJQ

ethyl 5-(4-nitrophenyl)-3-oxo-1-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyrazolidine-4-carboxylate

Also Known As: ethyl 5-(4-nitrophenyl)-3-oxo-1-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyrazolidine-4-carboxylate

CAS: 37124-62-2
Molecular Formula C19H17N3O6
Molecular Weight 383.11172 g/mol
LogP 1.741
Topological Polar Surface Area 118.85 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 383.11172
Monoisotopic Mass 383.11172
Heavy Atoms 28
Complexity 916.10156

Chemical Identifiers

CAS Number 37124-62-2
SMILES CCOC(=O)C1C(N(NC1=O)/C=C/2\C=CC=CC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Product Overview

AC1O2KJQ (CAS 37124-62-2), with molecular formula C19H17N3O6 and molecular weight 383.11172 g/mol. IUPAC: ethyl 5-(4-nitrophenyl)-3-oxo-1-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyrazolidine-4-carboxylate.

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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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