AC1NDA5S structure

AC1NDA5S

methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: NCGC00101313-01|SR-01000087200-1|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

CAS: 620584-69-2
Molecular Formula C23H16N2O6S
Molecular Weight 448.0729 g/mol
LogP 3.79992
Topological Polar Surface Area 109.94 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 3
Exact Mass 448.0729
Monoisotopic Mass 448.0729
Heavy Atoms 32
Complexity 1453.8707

Chemical Identifiers

CAS Number 620584-69-2
SMILES CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)OC

Product Overview

AC1NDA5S (CAS 620584-69-2), with molecular formula C23H16N2O6S and molecular weight 448.0729 g/mol. IUPAC: methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-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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