Cas no 150282-01-2 (3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI))

3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI) structure
150282-01-2 structure
Product Name:3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI)
CAS No:150282-01-2
MF:C5H8O3
MW:116.115221977234
CID:99921
PubChem ID:21475708
Update Time:2025-04-18

3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI)
    • 2-hydroxy-3-methylbut-3-enoic acid
    • 2-HYDROXY-3-METHYL-3-BUTEN-1-OIC ACID
    • 3-Butenoic acid, 2-hydroxy-3-Methyl-, (R)-
    • 2-hydroxy-3-methyl-3-butenoic acid
    • AKOS006377487
    • 6-Ethoxy-4-hydroxy-quinoline-3-carboxylicacid
    • DTXSID30614391
    • SCHEMBL1685414
    • 150282-01-2
    • Inchi: 1S/C5H8O3/c1-3(2)4(6)5(7)8/h4,6H,1H2,2H3,(H,7,8)
    • InChI Key: LXZWIDSMVHMLCL-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)C(=C)C

Computed Properties

  • Exact Mass: 116.04700
  • Monoisotopic Mass: 116.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 117
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.179
  • Boiling Point: 266.4°C at 760 mmHg
  • Flash Point: 129.2°C
  • Refractive Index: 1.477
  • PSA: 57.53000
  • LogP: 0.00800

3-Butenoic acid,2-hydroxy-3-methyl-, (R)- (9CI) Related Literature

  • 1. Biosynthesis of valine and isoleucine: synthesis and biological activity of (2S)-α-acetolactic acid (2-hydroxy-2-methyl-3-oxobutanoic acid), and (2R)- and (2S)-α-acetohydroxybutyric acid (2-ethyl-2-hydroxy-3-oxobutanoic acid)
    Frank B. Armstrong,Elizabeth L. Lipscomb,David H. G. Crout,Michael B. Mitchell,Shimoga R. Prakash J. Chem. Soc. Perkin Trans. 1 1983 1197
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