2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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![2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1dfb29b82473468e9704e65fb0a81ff1.png "2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid")
2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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CAS No:
845631-54-1
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Formula:
C23H18N2O4
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Chemical Name:
2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
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Synonyms:
ZINC2412997;AKOS032387840;845631-54-1
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CAS No:
2-[5-[(E)-2-cyano-3-(2,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Basic Attributes
386.4 g/mol
386.12665706 g/mol
Computed Properties
Molecular Weight:386.4
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:386.12665706
Monoisotopic Mass:386.12665706
Topological Polar Surface Area:103
Heavy Atom Count:29
Complexity:694
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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