Cas no 62386-30-5 (Butanoic acid, 2-hydroxy-4-oxo-, (S)-)

Butanoic acid, 2-hydroxy-4-oxo-, (S)- structure
62386-30-5 structure
Product Name:Butanoic acid, 2-hydroxy-4-oxo-, (S)-
CAS No:62386-30-5
MF:C4H6O4
MW:118.088041782379
CID:446647
PubChem ID:71386908
Update Time:2025-04-19

Butanoic acid, 2-hydroxy-4-oxo-, (S)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 2-hydroxy-4-oxo-, (S)-
    • SCHEMBL6129577
    • 62386-30-5
    • DTXSID20809052
    • (2S)-2-Hydroxy-4-oxobutanoic acid
    • Inchi： 1S/C4H6O4/c5-2-1-3(6)4(7)8/h2-3,6H,1H2,(H,7,8)/t3-/m0/s1
    • InChI Key： XJFSDAQUZXSRMY-VKHMYHEASA-N
    • SMILES： O[C@H](C(=O)O)CC=O

Computed Properties

  • Exact Mass: 118.02658
  • Monoisotopic Mass: 118.02660867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 98.2
  • 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: -1.4
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6

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