Cas no 156-80-9 (Propanedioic acid,ion(2-))

Propanedioic acid,ion(2-) structure
Propanedioic acid,ion(2-) structure
Product Name:Propanedioic acid,ion(2-)
CAS No:156-80-9
MF:C3H2O4
MW:102.04558134079
CID:152884
PubChem ID:9084
Update Time:2025-04-19

Propanedioic acid,ion(2-) Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,ion(2-)
    • Malonicacid, ion(2-) (8CI)
    • Malonate
    • Malonate dianion
    • Malonate ion(2-)
    • Malonate(2-)
    • Propanedioate
    • MALONATE,CLINICAL DETECTION,GENERAL BACTERIA TINY BIOCHEMICAL IDENTIFICATION TUBE
    • Malonic acid dianion
    • malonyl
    • UNII-4N2NU7R76L
    • MALONATE ION
    • BB 0254964
    • A807815
    • CHEMBL359504
    • OFOBLEOULBTSOW-UHFFFAOYSA-L
    • BRN 3904386
    • Sodium; Malonate
    • malo
    • DTXSID10166020
    • CHEBI:15792
    • DB02201
    • Propanedioic acid, ion(2-)
    • (-)OOC-CH2-COO(-)
    • 156-80-9
    • Malonic acid, ion(2-)
    • BDBM50159797
    • 1,3-dioxidopropane-1,3-dione
    • Q27093252
    • 4N2NU7R76L
    • Inchi: 1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
    • InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-L
    • SMILES: [O-]C(CC(=O)[O-])=O

Computed Properties

  • Exact Mass: 101.99530854g/mol
  • Monoisotopic Mass: 101.99530854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 72.1
  • 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
  • Surface Charge: -2
  • Tautomer Count: nothing
  • XLogP3: 0.8
  • Topological Polar Surface Area: 80.3?2
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