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CAS No.: | 59299-01-3 |
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Name: | Uracil 5-carboxylic acid |
Molecular Structure: | |
Formula: | C5H4N2O4 |
Molecular Weight: | 156.1 |
Synonyms: | E.C.4.1.1.66;Uracil-5-carboxylate decarboxylase;2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid;2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid; |
Density: | 1.642 g/cm3 |
Melting Point: | 283℃ |
Boiling Point: | 564.9 °C at 760 mmHg |
Flash Point: | 295.4 °C |
PSA: | 103.02000 |
LogP: | -1.23860 |
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The Decarboxylase, uracil-5-carboxylate, with the CAS registry number 59299-01-3, is also known as 2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid. This chemical's molecular formula is C5H4N2O4 and molecular weight is 156.1. What's more, its systematic name is 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid.
Physical properties of Decarboxylase, uracil-5-carboxylate are: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -4.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.92 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 31.11 cm3; (15)Molar Volume: 95 cm3; (16)Polarizability: 12.33×10-24cm3; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.642 g/cm3; (19)Flash Point: 295.4 °C; (20)Enthalpy of Vaporization: 89.28 kJ/mol; (21)Boiling Point: 564.9 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O
(2)InChI: InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
(3)InChIKey: ZXYAAVBXHKCJJB-UHFFFAOYSA-N