(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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![(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9912a9c03d9f41f2ac7ae31f940f7283.png "(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid")
(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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CAS No:
743440-56-4
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Formula:
C17H16N2O2
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Chemical Name:
(E)-2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]prop-2-enoic acid
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Synonyms:
2-cyano-3-[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]prop-2-enoic acid;743440-56-4;ZINC2643790;NE13030;SR-01000050383;SR-01000050383-1
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CAS No:
(E)-2-cyano-3-[2,5-dimethyl-1-(2-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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