Cas no 7456-87-3 (monomethyl carbonate)

monomethyl carbonate structure
monomethyl carbonate structure
Product Name:monomethyl carbonate
CAS No:7456-87-3
MF:C2H4O3
MW:76.0513610839844
CID:862337
PubChem ID:78579
Update Time:2025-04-19

monomethyl carbonate Chemical and Physical Properties

Names and Identifiers

    • monomethyl carbonate
    • CH3OC(O)OH
    • 7456-87-3
    • carboxymethyl ether
    • Q15726024
    • methyl hydrogen carbonate
    • DTXSID80996078
    • Inchi: 1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
    • InChI Key: CXHHBNMLPJOKQD-UHFFFAOYSA-N
    • SMILES: O(C(=O)O)C

Computed Properties

  • Exact Mass: 75.00819
  • Monoisotopic Mass: 76.016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 1
  • Complexity: 40.2
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.216
  • Boiling Point: 119.1°C at 760 mmHg
  • Flash Point: 54.9°C
  • Refractive Index: 1.384
  • PSA: 49.36
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