AC1M4JFJ structure

AC1M4JFJ

(E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid

Also Known As: CBMicro_026202|BIM-0026004.P001|4,4'-[1,3-Phenylenebis(oxy-4,1-phenyleneimino)]bis[4-oxo-2-Butenoic acid|3-(4-{3-[4-(3-Carboxy-acryloylamino)-phenoxy]-phenoxy}-phenylcarbamoyl)-acrylic acid|(2E,2'E)-4,4'-[benzene-1,3-diylbis(oxybenzene-4,1-diylimino)]bis(4-oxobut-2-enoic acid)|(E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid|(E)-4-[4-[3-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid|4,4''-(4,4''-(1,3-phenylenebis(oxy))bis(4,1-phenylene))bis(azanediyl)bis(4-oxobut-2-enoic acid)

CAS: 413574-26-2
Molecular Formula C26H20N2O8
Molecular Weight 488.12198 g/mol
LogP 4.4298
Topological Polar Surface Area 151.26 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
Rotatable Bonds 10
Exact Mass 488.12198
Monoisotopic Mass 488.12198
Heavy Atoms 36
Complexity 1213.7806

Chemical Identifiers

CAS Number 413574-26-2
SMILES C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)OC3=CC=C(C=C3)NC(=O)/C=C/C(=O)O

Product Overview

AC1M4JFJ (CAS 413574-26-2), with molecular formula C26H20N2O8 and molecular weight 488.12198 g/mol. IUPAC: (E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic 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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