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Substance Name: Mesoxalic acid
RN: 473-90-5
UNII: 62R514HE48
InChIKey: XEEVLJKYYUVTRC-UHFFFAOYSA-N

Molecular Formula

  • C3-H2-O5

Molecular Weight

  • 118.044
 
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Names and Synonyms

Name of Substance

  • Mesoxalic acid

Synonyms

  • 2-Oxomalonic acid
  • 2-Oxomalonsaeure
  • 3-03-00-01355 (Beilstein Handbook Reference)
  • BRN 1754123
  • CCRIS 1453
  • EINECS 207-473-4
  • Ketomalonic acid
  • Mesoxalate
  • Oxomalonic acid
  • Oxopropanedioic acid
  • UNII-62R514HE48

Systematic Names

  • Mesoxalic acid
  • Propanedioic acid, oxo- (9CI)

Registry Numbers

CAS Registry Number

  • 473-90-5

FDA UNII

  • 62R514HE48

System Generated Number

  • 0000473905

Structure Descriptors

InChI

1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)

InChIKey

XEEVLJKYYUVTRC-UHFFFAOYSA-N

Smiles

C(C(O)=O)(C(O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 1225, 1961.
mouse LD50 subcutaneous 4gm/kg (4000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 1225, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.040 (none)   EST
Atmospheric OH Rate Constant 1.04E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.