Cas no 35066-36-5 (Me ester-(E)-5-Hydroxy-3-methyl-2-pentenoic acid)

Me ester-(E)-5-Hydroxy-3-methyl-2-pentenoic acid structure
35066-36-5 structure
Product Name:Me ester-(E)-5-Hydroxy-3-methyl-2-pentenoic acid
CAS No:35066-36-5
MF:C7H12O3
MW:144.168382644653
CID:2069011
PubChem ID:71359777
Update Time:2025-04-21

Me ester-(E)-5-Hydroxy-3-methyl-2-pentenoic acid Chemical and Physical Properties

Names and Identifiers

    • Me ester-(E)-5-Hydroxy-3-methyl-2-pentenoic acid
    • Me ester-5-Hydroxy-3-methyl-2-pentenoic-acid, 9CI
    • methyl 5-hydroxy-3-methylpent-2-enoate
    • 35066-36-5
    • DTXSID10783615
    • Inchi: 1S/C7H12O3/c1-6(3-4-8)5-7(9)10-2/h5,8H,3-4H2,1-2H3/b6-5+
    • InChI Key: LQDTWKDEXHPJLV-AATRIKPKSA-N
    • SMILES: COC(/C=C(/CCO)\C)=O

Computed Properties

  • Exact Mass: 144.078644241Da
  • Monoisotopic Mass: 144.078644241Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 0.8
  • Topological Polar Surface Area: 46.5?2
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