Cas no 25064-07-7 (Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1))

Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1) structure
25064-07-7 structure
Product Name:Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
CAS No:25064-07-7
MF:C6H7NaO5
MW:182.106553316116
CID:267799
PubChem ID:23666022
Update Time:2025-04-19

Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
    • sodium,3-methoxy-2-methoxycarbonyl-3-oxoprop-1-en-1-olate
    • sodium 3-methoxy-2-(methoxycarbonyl)-3-oxoprop-1-en-1-olate
    • Sodium dimethyl (oxidomethylene)malonate
    • 25064-07-7
    • DTXSID00179760
    • EINECS 246-596-8
    • Inchi: 1S/C6H8O5.Na/c1-10-5(8)4(3-7)6(9)11-2;/h3,7H,1-2H3;/q;+1/p-1
    • InChI Key: GTSNNLKEYYAUGF-UHFFFAOYSA-M
    • SMILES: [Na+].O(C)C(/C(=C/[O-])/C(=O)OC)=O

Computed Properties

  • Exact Mass: 182.01911
  • Monoisotopic Mass: 182.019118
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 180
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.7

Experimental Properties

  • Boiling Point: 184°Cat760mmHg
  • Flash Point: 67.1°C
  • PSA: 75.66
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