AC1MJCC4 structure

AC1MJCC4

6-[5-[2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]hexanoic acid

Also Known As: BAS 00512003|J2.439.626F|AK-918/11182002|4,4 -Carbonylbis[N-(5-carboxypentyl)phthalimide]|6,6'-(5,5'-carbonylbis(1,3-dioxoisoindoline-5,2-diyl))dihexanoic acid|6-{5-[2-(5-CARBOXYPENTYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBONYL]-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL}HEXANOIC ACID|6,6'-[carbonylbis(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]dihexanoic acid|6-(5-{[2-(5-carboxypentyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-5-yl]carbonyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid|6-(5-{[2-(5-carboxypentyl)-1,3-dioxobenzo[c]azolin-5-yl]carbonyl}-1,3-dioxoben zo[c]azolin-2-yl)hexanoic acid|6-[5-[2-(6-hydroxy-6-oxohexyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]hexanoic acid

CAS: 71685-31-9
Molecular Formula C29H28N2O9
Molecular Weight 548.1795 g/mol
LogP 3.3996
Topological Polar Surface Area 166.43 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 14
Exact Mass 548.1795
Monoisotopic Mass 548.1795
Heavy Atoms 40
Complexity 1323.0781

Chemical Identifiers

CAS Number 71685-31-9
SMILES C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCCCCC(=O)O)C(=O)N(C2=O)CCCCCC(=O)O

Product Overview

AC1MJCC4 (CAS 71685-31-9), with molecular formula C29H28N2O9 and molecular weight 548.1795 g/mol. IUPAC: 6-[5-[2-(5-carboxypentyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]hexanoic acid.

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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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