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708-79-2

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Basic Information
CAS No.: 708-79-2
Name: 1-METHYLURIC ACID
Article Data: 9
Molecular Structure:
Molecular Structure of 708-79-2 (1-METHYLURIC ACID)
Formula: C6H6N4O3
Molecular Weight: 182.139
Synonyms: 1-Methyluric acid;1-Methyl-7,9-dihydro-3H-purine-2,6,8-trione;7,9-Dihydro-1-methyl-1H-purine-2,6,8(3H)-trione;
EINECS: 211-905-7
Density: 1.73g/cm3
Melting Point: >325oC
Boiling Point: 315.51°C (rough estimate)
Solubility: 1.585g/L(temperature not stated)
PSA: 103.51000
LogP: -1.75680
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Specification

The 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1-methyl-, with the CAS registry number 708-79-2, is also known as 1-Methyluric acid. Its EINECS number is 211-905-7. This chemical's molecular formula is C6H6N4O3 and molecular weight is 182.14. What's more, its IUPAC name is 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione.

Physical properties of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1-methyl- are: (1)ACD/LogP: -0.625; (2)ACD/LogD (pH 5.5): -1.92; (3)ACD/LogD (pH 7.4): -2.6; (4)#H bond acceptors: 7; (5)#Freely Rotating Bonds: 0; (6)#H bond donors: 3; (7)Polar Surface Area: 64.17.

Uses of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1-methyl-: it can be used to produce (1-methyl-2,5-dioxo-imidazolidin-4-yl)-urea at the temperature of 4°C. It will need reagents I2, LiOH and solvent H2O. The yield is about 89%.

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-1-methyl- can be used to produce (1-methyl-2,5-dioxo-imidazolidin-4-yl)-urea at the temperature of 4°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C2=C(/NC(=O)N1C)NC(=O)N2
(2)Std. InChI: InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
(3)Std. InChIKey:QFDRTQONISXGJA-UHFFFAOYSA-N