Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)
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Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)
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CAS No:
172824-87-2
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Formula:
C13H18O2
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Chemical Name:
Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)
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Synonyms:
(2S)-2-[4-(2-Methyl-2-propanyl)phenyl]propanoic acid;ZINC345869;(S)-2-(4-tert-Butylphenyl)propanoic acid
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CAS No:
Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI) Basic Attributes
206.28082
206.131
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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Benzeneacetic acid, 4-(1,1-dimethylethyl)--alpha--methyl-, (S)- (9CI)
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