3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid
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![3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3cbeca56cc99476f8ca5fae1b0f6d382.png "3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid")
3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid
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CAS No:
405894-94-2
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Formula:
C18H14N2O6
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Chemical Name:
3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid
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Synonyms:
ZINC2440513;STK292510;AKOS003263626;3-{[(2-{[(2E)-3-carboxyprop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid;405894-94-2
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CAS No:
3-[[2-[[(E)-3-carboxyprop-2-enoyl]amino]benzoyl]amino]benzoic acid Basic Attributes
354.3 g/mol
354.08518617 g/mol
Computed Properties
Molecular Weight:354.3
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:354.08518617
Monoisotopic Mass:354.08518617
Topological Polar Surface Area:133
Heavy Atom Count:26
Complexity:588
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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