Cas no 4212-43-5 (peroxypropionic acid)

peroxypropionic acid structure
peroxypropionic acid structure
Product Name:peroxypropionic acid
CAS No:4212-43-5
MF:C3H6O3
MW:90.0779414176941
CID:1513009
PubChem ID:65136
Update Time:2025-04-21

peroxypropionic acid Chemical and Physical Properties

Names and Identifiers

    • peroxypropionic acid
    • Perpropionic acid
    • Peroxypropanoic acid
    • Perpropanoic acid
    • Propanecarboperoxoic acid
    • Propaneperoxic acid
    • propaneperoxoic acid
    • EINECS 224-139-3
    • 4212-43-5
    • Q27289887
    • DTXSID6063355
    • Propaneperoxoic-acid-
    • TC7N3T6225
    • NS00031102
    • perpropionic aicd
    • AKOS006279333
    • UNII-TC7N3T6225
    • CH3CH2C(O)OOH
    • Inchi: 1S/C3H6O3/c1-2-3(4)6-5/h5H,2H2,1H3
    • InChI Key: CZPZWMPYEINMCF-UHFFFAOYSA-N
    • SMILES: O(C(CC)=O)O

Computed Properties

  • Exact Mass: 90.03168
  • Monoisotopic Mass: 90.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 50
  • 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: 46.5?2

Experimental Properties

  • Density: 1.1385 (rough estimate)
  • Boiling Point: 107.25°C (rough estimate)
  • Refractive Index: 1.4540 (estimate)
  • PSA: 46.53
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