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52605-87-5

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Basic Information
CAS No.: 52605-87-5
Name: 1H-Imidazole-4-acetic acid, 5-(methoxycarbonyl)-, methyl ester
Molecular Structure:
Molecular Structure of 52605-87-5 (1H-Imidazole-4-acetic acid, 5-(methoxycarbonyl)-, methyl ester)
Formula: C8H10N2O4
Molecular Weight: 198.178
Synonyms: NSC 34776;
Density: 1.306 g/cm3
Boiling Point: 408.3 °C at 760 mmHg
Flash Point: 200.7 °C
PSA: 81.28000
LogP: -0.08820
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    1H-Imidazole-4-aceticacid, 5-(methoxycarbonyl)-, methyl ester

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  • 1H-Imidazole-4-aceticacid, 5-(methoxycarbonyl)-, methyl ester cas 52605-87-5

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    1H-Imidazole-4-aceticacid, 5-(methoxycarbonyl)-, methyl ester cas 52605-87-5Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 1H-Imidazole-4-aceticacid, 5-(methoxycarbonyl)-, methyl ester, with the CAS registry number 52605-87-5, is also known as NSC 34776. This chemical's molecular formula is C8H10N2O4 and molecular weight is 198.176. What's more, its IUPAC name is Methyl 5-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate.

Physical properties about 1H-Imidazole-4-aceticacid, 5-(methoxycarbonyl)-, methyl ester are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 70.42 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 46.5 cm3; (9)Molar Volume: 151.6 cm3; (10)Polarizability: 18.43×10-24 cm3; (11)Surface Tension: 51.8 dyne/cm; (12)Density: 1.306 g/cm3; (13)Flash Point: 200.7 °C; (14)Enthalpy of Vaporization: 66.03 kJ/mol; (15)Boiling Point: 408.3 °C at 760 mmHg; (16)Vapour Pressure: 7.09E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)Cc1c(ncn1)C(=O)OC
(2) InChI: InChI=1/C8H10N2O4/c1-13-6(11)3-5-7(8(12)14-2)10-4-9-5/h4H,3H2,1-2H3,(H,9,10)
(3) InChIKey: VWEGSUGWGOBEMJ-UHFFFAOYAU