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CAS No.: | 944900-52-1 |
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Name: | 2- amino-1,3-oxazole-4-carboxylic acid |
Molecular Structure: | |
Formula: | C4H4N2O3 |
Molecular Weight: | 128.087 |
Synonyms: | 4-oxazolecarboxylic acid, 2-amino-; |
Density: | 1.596 g/cm3 |
Boiling Point: | 402.516 °C at 760 mmHg |
Flash Point: | 197.235 °C |
PSA: | 89.35000 |
LogP: | 0.53620 |
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The 2-Amino-1,3-oxazole-4-carboxylic acid, with the CAS registry number 944900-52-1, is also called 4-oxazolecarboxylic acid, 2-amino-. It belongs to the following product categories: Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles. And the molecular formula of the chemical is C4H4N2O3.
The characteristics of 2-Amino-1,3-oxazole-4-carboxylic acid are as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 89.35 Å2; (11)Index of Refraction: 1.61; (12)Molar Refractivity: 27.81 cm3; (13)Molar Volume: 80.261 cm3; (14)Polarizability: 11.025×10-24cm3; (15)Surface Tension: 84.525 dyne/cm; (16)Density: 1.596 g/cm3; (17)Flash Point: 197.235 °C; (18)Enthalpy of Vaporization: 68.932 kJ/mol; (19)Boiling Point: 402.516 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1coc(N)n1
(2)InChI: InChI=1/C4H4N2O3/c5-4-6-2(1-9-4)3(7)8/h1H,(H2,5,6)(H,7,8)
(3)InChIKey: HLHGBUDVJAFBRN-UHFFFAOYAM