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473-90-5

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Basic Information
CAS No.: 473-90-5
Name: KETOMALONIC ACID
Article Data: 76
Molecular Structure:
Molecular Structure of 473-90-5 (KETOMALONIC ACID)
Formula: C3H2O5
Molecular Weight: 118.046
Synonyms: Mesoxalicacid (7CI,8CI);Propanedioic acid, oxo- (9CI);2-Oxomalonic acid;2-Oxopropanedioic acid;Ketomalonic acid;Mesoxalate;Oxomalonic acid;Oxopropanedioic acid;a-Ketomalonic acid;
EINECS: 207-473-4
Density: 1.832 g/cm3
Melting Point: 178 °C
Boiling Point: 405.2 °C at 760 mmHg
Flash Point: 213 °C
PSA: 91.67000
LogP: -1.27530
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1,3-dihydroxyacetone dimer

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acetonedicarboxylic acid

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acetone

D

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Conditions
ConditionsYield
bei mehrjaehrigem Aufbewahren eines Handelspraeparats unter Ausschluss von Licht und Luft; Prod.5: Milchsaeure;
...Expand
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tartronic acid

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acetonedicarboxylic acid

Conditions
ConditionsYield
With Fructose 1,6-bisphosphate; oxidized form of nicotineamide adenine dinucleotide In water at 25℃; Rate constant; pH 8.5, reaction in the presence of L-lactate dehydrogenase from Bacillus stearothermophilus (BSLDH 102R);
With dihydrogen peroxide; iron(II)
Electrolysis.Elektrolyse an Platin-Anoden in saurer Loesung;
With alkaline copper solution
With tempamine; recombinant oxalate decarboxylase from Bacillus subtilis In aq. phosphate buffer at 25℃; pH=5.2; Electrochemical reaction; Enzymatic reaction;
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pyrimidine-2,4,5,6(1H,3H)-tetraone

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
With acetate_of lead
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2-aminomalonic acid

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
With water; iodine
60574-00-7

(R,R)-(+)-tartaric acid monoamide

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
With sodium hypochlorite
87-69-4

L-Tartaric acid

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
Electrolysis.Elektrolyse an Platin-Anoden in saurer Loesung;
Electrolysis.Elektrolyse an Nickel- oder Kupfer-Anoden in alkal. Loesung;
96-26-4

dihydroxyacetone

142-71-2

copper diacetate

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
at 65℃;
96-26-4

dihydroxyacetone

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
With water; copper (I) acetate at 65℃;
600-35-1

dibromo-pyruvic acid

473-90-5

acetonedicarboxylic acid

Conditions
ConditionsYield
With silver(l) oxide
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dibromomalonic acid

furan-2,3,5(4H)-trione pyridine (1:1)

473-90-5

acetonedicarboxylic acid

Raw Materials
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142-71-2
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Specification

The CAS register number of Mesoxalic acid is 473-90-5. It also can be called as Ketomalonic acid and the IUPAC name about this chemical is 2-oxopropanedioic acid. The molecular formula about this chemical is C3H2O5 and the molecular weight is 118.04.

Physical properties about Mesoxalic acid are: (1)ACD/LogP: -1.58; (2)ACD/LogD (pH 5.5): -6.26; (3)ACD/LogD (pH 7.4): -6.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 69.67 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 19.1 cm3; (14)Molar Volume: 64.4 cm3; (15)Polarizability: 7.57x10-24cm3; (16)Surface Tension: 93.1 dyne/cm; (17)Density: 1.832 g/cm3; (18)Flash Point: 213 °C; (19)Enthalpy of Vaporization: 72.07 kJ/mol; (20)Boiling Point: 405.2 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-07 mmHg at 25 °C.

Uses of Mesoxalic acid: it can be used to produce glycine. This reaction will need reagents of FeS, (NH4)2CO3 and solvent of H2O. The reaction time is 6 days with reaction temperature of 100 °C. The yield is about 86%.

Mesoxalic acid can be used to produce glycine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)C(=O)O
(2)InChI: InChI=1/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
(3)InChIKey: XEEVLJKYYUVTRC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
(5)Std. InChIKey: XEEVLJKYYUVTRC-UHFFFAOYSA-N

The toxicity data are as follows:

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.