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Home > Encyclopedia > (2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid

(2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid

(2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid structure

(2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid 

structure
  • CAS No:

    1164512-84-8

  • Formula:

    C13H16N2O2

  • Chemical Name:

    (2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid

  • Synonyms:

    (2E)-2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid;SMR000242048;MLS000339631;MLS000774676;(E)-2-Cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid;2-cyano-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid;CHEMBL1345249;HMS2610C08;ZINC3281466;(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid

(2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid Basic Attributes

232.27834

232.121

Characteristics

66

2.2

Computed Properties

Molecular Weight:232.28
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:232.121177757
Monoisotopic Mass:232.121177757
Topological Polar Surface Area:66
Heavy Atom Count:17
Complexity:367
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2E)-2-cyano-3-(2,5-diMethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid

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