(+)-3-Phenylbutyric acid
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(+)-3-Phenylbutyric acid
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CAS No:
772-15-6
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Formula:
C10H12O2
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Chemical Name:
(+)-3-Phenylbutyric acid
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Synonyms:
Benzenepropanoic acid,β-methyl-,(βS)-;Hydrocinnamic acid,β-methyl-,(S)-;Benzenepropanoic acid,β-methyl-,(S)-;(βS)-β-Methylbenzenepropanoic acid;(S)-(+)-β-Methylhydrocinnamic acid;(S)-3-Phenylbutanoic acid;(S)-3-Phenylbutyric acid;(+)-3-Phenylbutyric acid;(S)-(+)-3-Phenylbutyric acid;(S)-(+)-3-Phenylbutanoic acid;(S)-3-Phenyl-1-butanoic acid;(3S)-3-Phenylbutanoic acid;(3S)-3-Phenylbutanoic acid
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CAS No:
Characteristics
37.30000
2.26480
1.069 g/mL at 20ºC(lit.)
38.0 °C
113-115 °C @ Press: 3 Torr
n20/D 1.518
Computed Properties
Molecular Weight:164.20
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:148
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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