2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
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![2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1a4c536fa42642eb8c32cf2d73755a47.png "2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid")
2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
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CAS No:
104867-47-2
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Formula:
C11H9N3O3
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Chemical Name:
2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
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Synonyms:
MLS000778470;CHEMBL1490306;HMS2769G17;STL338954;ZINC13639121;AKOS022133626;SMR000415264;2-((Z)-2-Carbamoyl-2-cyano-vinylamino)-benzoic acid;2-{[(1Z)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid;104867-47-2
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CAS No:
2-[[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid Basic Attributes
231.21 g/mol
231.06439116 g/mol
Computed Properties
Molecular Weight:231.21
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:231.06439116
Monoisotopic Mass:231.06439116
Topological Polar Surface Area:116
Heavy Atom Count:17
Complexity:394
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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