(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID
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![(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a9188b4e87254ad583bcfb4f23a2918f.png "(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID")
(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID
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CAS No:
743440-54-2
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Formula:
C13H16N2O3
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Chemical Name:
(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID
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Synonyms:
(2E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylic acid;2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid;ZINC2643786;NE13318;EN300-08797;SR-01000050382;J-500742;SR-01000050382-1;2-Cyano-3-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)acrylic acid
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CAS No:
(2E)-2-CYANO-3-[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLIC ACID Basic Attributes
248.28
248.116
Computed Properties
Molecular Weight:248.28
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:248.11609238
Monoisotopic Mass:248.11609238
Topological Polar Surface Area:75.2
Heavy Atom Count:18
Complexity:383
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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