(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid
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![(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/827e81658d194282af8de1502df7dd74.png "(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid")
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid
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CAS No:
733030-70-1
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Formula:
C16H13ClN2O2
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Chemical Name:
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid
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Synonyms:
3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyanoprop-2-enoic acid;733030-70-1;NE12979;SR-01000049278;SR-01000049278-1
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CAS No:
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid Basic Attributes
300.74 g/mol
300.0665554 g/mol
Computed Properties
Molecular Weight:300.74
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:300.0665554
Monoisotopic Mass:300.0665554
Topological Polar Surface Area:66
Heavy Atom Count:21
Complexity:474
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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