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85110-06-1

Basic Information
CAS No.: 85110-06-1
Name: 5-Formylimidazole-4-carboxylic acid methyl ester
Article Data: 6
Molecular Structure:
Molecular Structure of 85110-06-1 (5-Formylimidazole-4-carboxylic acid methyl ester)
Formula: C6H6N2O3
Molecular Weight: 154.125
Synonyms: 1H-Imidazole-4-carboxylicacid, 5-formyl-, methyl ester (9CI);Methyl 4-formyl-1H-imidazole-5-carboxylate;Methyl 5-formyl-1H-imidazole-4-carboxylate;
Density: 1.394 g/cm3
Boiling Point: 433.9 °C at 760 mmHg
Flash Point: 216.2 °C
PSA: 72.05000
LogP: 0.00880
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  • 5-Formylimidazole-4-carboxylic acid methyl ester  CAS NO.85110-06-1

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Specification

The 5-Formylimidazole-4-carboxylic acid methyl ester, with the CAS registry number 85110-06-1, is also known as 1H-Imidazole-4-carboxylic acid, 5-formyl-, methyl ester. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C6H6N2O3 and molecular weight is 154.12. Its systematic name is called methyl 5-formyl-1H-imidazole-4-carboxylate.

Physical properties of 5-Formylimidazole-4-carboxylic acid methyl ester: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 20.3; (4)ACD/KOC (pH 7.4): 17.07; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.589; (9)Molar Refractivity: 37.3 cm3; (10)Molar Volume: 110.5 cm3; (11)Surface Tension: 62.6 dyne/cm; (12)Density: 1.394 g/cm3; (13)Flash Point: 216.2 °C; (14)Enthalpy of Vaporization: 69 kJ/mol; (15)Boiling Point: 433.9 °C at 760 mmHg; (16)Vapour Pressure: 9.85E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncnc1C=O
(2)InChI: InChI=1/C6H6N2O3/c1-11-6(10)5-4(2-9)7-3-8-5/h2-3H,1H3,(H,7,8)
(3)InChIKey: LWXHPIQSFAYGAP-UHFFFAOYAV