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Home > Encyclopedia > Benzenebutanoic acid, 4-cyano-3-methyl- (9CI)

Benzenebutanoic acid, 4-cyano-3-methyl- (9CI)

Benzenebutanoic acid, 4-cyano-3-methyl- (9CI) structure

Benzenebutanoic acid, 4-cyano-3-methyl- (9CI) 

structure
  • CAS No:

    800395-57-7

  • Formula:

    C12H13NO2

  • Chemical Name:

    Benzenebutanoic acid, 4-cyano-3-methyl- (9CI)

  • Synonyms:

    4-(4-Cyano-3-methylphenyl)butanoic acid;ZINC39105202

Benzenebutanoic acid, 4-cyano-3-methyl- (9CI) Basic Attributes

203.23712

203.095

Characteristics

61.1

2.1

Computed Properties

Molecular Weight:203.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:61.1
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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