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)
| 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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