Cas no 63305-45-3 (2-Pentanone, 5-(formyloxy)-)

2-Pentanone, 5-(formyloxy)- structure
2-Pentanone, 5-(formyloxy)- structure
Product Name:2-Pentanone, 5-(formyloxy)-
CAS No:63305-45-3
MF:C6H10O3
MW:130.141802310944
CID:426842
PubChem ID:536673
Update Time:2025-04-19

2-Pentanone, 5-(formyloxy)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentanone, 5-(formyloxy)-
    • 4-oxopentyl formate
    • AKOS005593679
    • DTXSID60336837
    • SCHEMBL9528445
    • UUGPQIGKAFRSKA-UHFFFAOYSA-N
    • 63305-45-3
    • Inchi: 1S/C6H10O3/c1-6(8)3-2-4-9-5-7/h5H,2-4H2,1H3
    • InChI Key: UUGPQIGKAFRSKA-UHFFFAOYSA-N
    • SMILES: O(C=O)CCCC(C)=O

Computed Properties

  • Exact Mass: 130.063
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 98.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
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