AC1O0W6P structure

AC1O0W6P

prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|allyl 2-[3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|prop-2-en-1-yl 2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

CAS: 496772-87-3
Molecular Formula C27H23N3O8S
Molecular Weight 549.1206 g/mol
LogP 4.64584
Topological Polar Surface Area 149.17 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 8
Exact Mass 549.1206
Monoisotopic Mass 549.1206
Heavy Atoms 39
Complexity 1558.0538

Chemical Identifiers

CAS Number 496772-87-3
SMILES CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=CC=C4)[N+](=O)[O-])/O)OC

Product Overview

AC1O0W6P (CAS 496772-87-3), with molecular formula C27H23N3O8S and molecular weight 549.1206 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-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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