Cas no 102367-19-1 (Butanedioic acid,1-(1,1-dimethylethyl) ester, sodium salt (1:1))

Butanedioic acid,1-(1,1-dimethylethyl) ester, sodium salt (1:1) structure
102367-19-1 structure
Product Name:Butanedioic acid,1-(1,1-dimethylethyl) ester, sodium salt (1:1)
CAS No:102367-19-1
MF:C8H13NaO4
MW:196.17619395256
CID:139838
PubChem ID:24846210
Update Time:2025-04-19

Butanedioic acid,1-(1,1-dimethylethyl) ester, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,1-(1,1-dimethylethyl) ester, sodium salt (1:1)
    • Butanedioicacid, mono(1,1-dimethylethyl) ester, sodium salt (9CI)
    • sodium,4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate
    • 102367-19-1
    • tert-Butyl ester of succinic acid sodium salt
    • DTXSID00144958
    • Succinic acid, tert-butyl ester, sodium salt
    • Inchi: 1S/C8H14O4.Na/c1-8(2,3)12-7(11)5-4-6(9)10;/h4-5H2,1-3H3,(H,9,10);/q;+1/p-1
    • InChI Key: CLHDSVCJRNABJW-UHFFFAOYSA-M
    • SMILES: [Na+].O(C(CCC(=O)[O-])=O)C(C)(C)C

Computed Properties

  • Exact Mass: 196.071153g/mol
  • Monoisotopic Mass: 196.071153g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 183
  • 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
  • Molecular Weight: 196.18g/mol
  • Topological Polar Surface Area: 66.4?2
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