(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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![(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/49140a43c2ee4207b91fb8b606adcafa.png "(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid")
(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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CAS No:
736949-02-3
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Formula:
C17H16N2O2
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Chemical Name:
(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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Synonyms:
2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid;(2E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]acrylic acid;736949-02-3;ZINC3305390;NE21097;(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid;EN300-07746;SR-01000049689;SR-01000049689-1
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CAS No:
(E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoic acid Basic Attributes
280.32 g/mol
280.121177757 g/mol
Computed Properties
Molecular Weight:280.32
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:280.121177757
Monoisotopic Mass:280.121177757
Topological Polar Surface Area:66
Heavy Atom Count:21
Complexity:476
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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