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| CAS No.: | 155815-92-2 |
|---|---|
| Name: | 4-Amino-1H-imidazole-2-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C4H5N3O2 |
| Molecular Weight: | 127.10 |
| Synonyms: | 3-Isoxazolecarboxylic acid, 6-formyl-, methyl ester; |
| Density: | 1.677 g/cm3 |
| Boiling Point: | 546.699 °C at 760 mmHg |
| Flash Point: | 284.434 °C |
| PSA: | 92.00000 |
| LogP: | 0.27130 |
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Specification
The 4-Amino-1H-imidazole-2-carboxylic acid with the CAS number 155815-92-2 is also called 3-Isoxazolecarboxylic acid, 6-formyl-, methyl ester. Its molecular formula is C4H5N3O2. This chemical belongs to the following product categories: (1)Aminoacid; (2)Carboxylicacid.
The properties of the 4-Amino-1H-imidazole-2-carboxylic acid are: (1)ACD/LogP: -0.66; (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: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 92 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 29.943 cm3; (13)Molar Volume: 75.789 cm3; (14)Polarizability: 11.871×10-24cm3; (15)Surface Tension: 116.487 dyne/cm; (16)Enthalpy of Vaporization: 86.911 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncc(N)n1
(2)InChI: InChI=1/C4H5N3O2/c5-2-1-6-3(7-2)4(8)9/h1H,5H2,(H,6,7)(H,8,9)
(3)InChIKey: RFOFSMYXSBHWPC-UHFFFAOYAE