4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid
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![4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b5e7fa26906b424f803befdc448b541e.png "4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid")
4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid
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CAS No:
454665-82-8
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Formula:
C14H12N2O3
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Chemical Name:
4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid
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Synonyms:
MLS000773438;CHEMBL1431453;HMS2726G09;454665-82-8;ZINC3256472;4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid;AKOS001049150;SMR000364146
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CAS No:
4-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]benzoic acid Basic Attributes
256.26 g/mol
256.08479225 g/mol
Computed Properties
Molecular Weight:256.26
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:256.08479225
Monoisotopic Mass:256.08479225
Topological Polar Surface Area:90.2
Heavy Atom Count:19
Complexity:437
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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