3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID
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![3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e4f20c7c92a64c13b5e3ff2f80e11728.png "3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID")
3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID
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CAS No:
866040-41-7
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Formula:
C18H16F3NO5
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Chemical Name:
3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID
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Synonyms:
866040-41-7;3-(1,3-benzodioxol-5-yl)-3-[2,5-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]propanoic acid;3-(2H-1,3-benzodioxol-5-yl)-3-[2,5-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl]propanoic acid;KS-00001Y1O;AKOS005096802;MCULE-4295110093;5W-0819
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CAS No:
3-(1,3-BENZODIOXOL-5-YL)-3-[2,5-DIMETHYL-3-(2,2,2-TRIFLUOROACETYL)-1H-PYRROL-1-YL]PROPANOIC ACID Basic Attributes
383.32
383.098
Computed Properties
Molecular Weight:383.3
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:383.09805710
Monoisotopic Mass:383.09805710
Topological Polar Surface Area:77.8
Heavy Atom Count:27
Complexity:584
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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