Cas no 149-61-1 (Butanedioic acid,2-hydroxy-, ion(2-))

Butanedioic acid,2-hydroxy-, ion(2-) structure
149-61-1 structure
Product Name:Butanedioic acid,2-hydroxy-, ion(2-)
CAS No:149-61-1
MF:C4H4O5
MW:132.071561813354
CID:147576
PubChem ID:160434
Update Time:2025-04-19

Butanedioic acid,2-hydroxy-, ion(2-) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-hydroxy-, ion(2-)
    • 2-hydroxybutanedioate
    • Malate
    • R-116301
    • Malate, L-
    • malate(2-)
    • 2-Hydroxysuccinate
    • Hydroxybutanedioate
    • ANION STANDARD - MALATE
    • 2-Hydroxysuccinic acid dianion
    • Butanedioic acid, hydroxy-, ion(2)-
    • Hydroxysuccinate
    • Butanedioic acid, 2-hydroxy-, ion(2-)
    • malate dianion
    • Malate ion(2-)
    • BDBM50159798
    • Q27098132
    • CHEMBL182856
    • CHEBI:15595
    • calcium (hydroxy-1-malate) hexahydrate
    • hydroxybutanedioic acid, ion(2-)
    • DL-Malate
    • DL Malate
    • Sodium; L-Malate
    • (RS)-malate
    • DL-Apple Acid
    • 3-hydroxysuccinate
    • BJEPYKJPYRNKOW-UHFFFAOYSA-L
    • malate anion
    • 149-61-1
    • DTXSID00933521
    • (RS)-malic acid
    • Inchi: 1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2
    • InChI Key: BJEPYKJPYRNKOW-UHFFFAOYSA-L
    • SMILES: OC(C(=O)[O-])CC(=O)[O-]

Computed Properties

  • Exact Mass: 132.00582
  • Monoisotopic Mass: 132.006
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: -2
  • Tautomer Count: nothing
  • XLogP3: 0
  • Topological Polar Surface Area: 101A^2

Experimental Properties

  • Boiling Point: 306.4°Cat760mmHg
  • Flash Point: 153.4°C
  • PSA: 100.49
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