(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid
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(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid
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CAS No:
865233-35-8
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Formula:
C12H12O3
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Chemical Name:
(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid
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Synonyms:
Benzenepropanoic acid,4-hydroxy-β-1-propyn-1-yl-,(βS)-;Benzenepropanoic acid,4-hydroxy-β-1-propynyl-,(βS)-;(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid;(3S)-3-(4-Hydroxyphenyl)-4-hexynoic acid;(S)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
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CAS No:
Computed Properties
Molecular Weight:204.22
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:204.078644241
Monoisotopic Mass:204.078644241
Topological Polar Surface Area:57.5
Heavy Atom Count:15
Complexity:276
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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