Cas no 5617-75-4 ()

5617-75-4 structure
structure
Product Name:
CAS No:5617-75-4
MF:C5H10O2
MW:102.131701946259
CID:6686107
PubChem ID:14236864
Update Time:2024-03-02

Chemical and Physical Properties

Names and Identifiers

    • Inchi: 1S/C5H10O2/c6-2-4-1-5(4)3-7/h4-7H,1-3H2
    • InChI Key: SWXDNKVUVKMURJ-UHFFFAOYSA-N
    • SMILES: OCC1CC1CO

Computed Properties

  • Exact Mass: 102.068079557g/mol
  • Monoisotopic Mass: 102.068079557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 55.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 40.5?2
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