α-(1,1-Dimethylethyl)benzenepropanoic acid
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α-(1,1-Dimethylethyl)benzenepropanoic acid
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CAS No:
53483-12-8
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Formula:
C13H18O2
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Chemical Name:
α-(1,1-Dimethylethyl)benzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,α-(1,1-dimethylethyl)-;Hydrocinnamic acid,α-tert-butyl-;α-(1,1-Dimethylethyl)benzenepropanoic acid;3,3-Dimethyl-2-(phenylmethyl)butanoic acid;2-Phenylmethyl-3,3-dimethylbutanoic acid;2-Benzyl-3,3-dimethylbutanoic acid;3,3-Dimethyl-2-benzylbutanoic acid;120390-54-7
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CAS No:
Characteristics
37.3
2.97600
1.032g/cm3
70 °C @ Solvent: Pentane
132-138 °C1 mm Hg(lit.)
210.9ºC
1.516
Computed Properties
Molecular Weight:206.28
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:209
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α-(1,1-Dimethylethyl)benzenepropanoic acid
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