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Home > Encyclopedia > Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI) structure

Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI) 

structure
  • CAS No:

    172824-87-2

  • Formula:

    C13H18O2

  • Chemical Name:

    Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)

  • Synonyms:

    (2S)-2-[4-(2-Methyl-2-propanyl)phenyl]propanoic acid;ZINC345869;(S)-2-(4-tert-Butylphenyl)propanoic acid

Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI) Basic Attributes

206.28082

206.131

Characteristics

37.3

3.6

Computed Properties

Molecular Weight:206.28
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:219
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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