Cas no 155249-05-1 (Propaneperoxoic acid,methyl ester)

Propaneperoxoic acid,methyl ester structure
155249-05-1 structure
Product Name:Propaneperoxoic acid,methyl ester
CAS No:155249-05-1
MF:C4H8O3
MW:104.104521751404
CID:106917
PubChem ID:23287416
Update Time:2025-04-18

Propaneperoxoic acid,methyl ester Chemical and Physical Properties

Names and Identifiers

    • Propaneperoxoic acid,methyl ester
    • Propaneperoxoic acid, methyl ester
    • SCHEMBL445066
    • methoxy propionate
    • 155249-05-1
    • methyl propaneperoxoate
    • Inchi: 1S/C4H8O3/c1-3-4(5)7-6-2/h3H2,1-2H3
    • InChI Key: YWTJTYXQYJSKNB-UHFFFAOYSA-N
    • SMILES: O(C(CC)=O)OC

Computed Properties

  • Exact Mass: 104.04734
  • Monoisotopic Mass: 104.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 60
  • 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: 0.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Propaneperoxoic acid,methyl ester Related Literature

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