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Home > Encyclopedia > (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid structure

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid 

structure
  • CAS No:

    865233-35-8

  • Formula:

    C12H12O3

  • Chemical Name:

    (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

(βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid Basic Attributes

204.22

204.22

Characteristics

57.53000

1.97380

1.234±0.06 g/cm3

127 °C

398.2±37.0 °C(Predicted)

4.23±0.10

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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