Cas no 2227854-97-7 ((1S)-1-(1,2-oxazol-3-yl)ethan-1-ol)

(1S)-1-(1,2-oxazol-3-yl)ethan-1-ol structure
2227854-97-7 structure
Product Name:(1S)-1-(1,2-oxazol-3-yl)ethan-1-ol
CAS No:2227854-97-7
MF:C5H7NO2
MW:113.114581346512
CID:5873405
PubChem ID:165968589
Update Time:2023-12-26

(1S)-1-(1,2-oxazol-3-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolemethanol, α-methyl-, (αS)-
    • (S)-1-(isoxazol-3-yl)ethan-1-ol
    • (1S)-1-(1,2-oxazol-3-yl)ethan-1-ol
    • 2227854-97-7
    • EN300-1807959
    • Inchi: 1S/C5H7NO2/c1-4(7)5-2-3-8-6-5/h2-4,7H,1H3/t4-/m0/s1
    • InChI Key: OJSDNYAMXINJQD-BYPYZUCNSA-N
    • SMILES: [C@H](C1=NOC=C1)(O)C

Computed Properties

  • Exact Mass: 113.047678466g/mol
  • Monoisotopic Mass: 113.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 76.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • Density: 1.171±0.06 g/cm3(Predicted)
  • Boiling Point: 222.3±15.0 °C(Predicted)
  • pka: 13.17±0.20(Predicted)

(1S)-1-(1,2-oxazol-3-yl)ethan-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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