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1H-Imidazole-4-carboxylicacid, 1-(1-methylethyl)- (917364-12-6)

Identification
Name:1H-Imidazole-4-carboxylicacid, 1-(1-methylethyl)-
Synonyms:1-Isopropyl-1H-imidazole-4-carboxylicacid;
CAS:917364-12-6
Molecular Formula: C7H10N2O2
Molecular Weight: 154.17
InChI: InChI=1/C7H10N2O2/c1-5(2)9-3-6(7(10)11)8-4-9/h3-5H,1-2H3,(H,10,11)
Molecular Structure: (C7H10N2O2) 1-Isopropyl-1H-imidazole-4-carboxylicacid;
Properties
Density:1.23 g/cm3
Refractive index:1.563
Specification:

The CAS register number of 1-Isopropyl-1H-imidazole-4-carboxylic acid is 917364-12-6. It also can be called as 1H-Imidazole-4-carboxylicacid, 1-(1-methylethyl)- and the systematic name about this chemical is 1-isopropylimidazole-4-carboxylic acid.

Physical properties about 1-Isopropyl-1H-imidazole-4-carboxylic acid are: (1)ACD/LogP:0.35; (2)#H bond acceptors:4; (3)#H bond donors:1; (4)#Freely Rotating Bonds:2; (5)Polar Surface Area:55.12Å2; (6)Index of Refraction:1.563; (7)Molar Refractivity:40.59 cm3; (8)Molar Volume:124.9 cm3; (9)Polarizability:16.09x10-24cm3; (10)Surface Tension:43 dyne/cm; (11)Enthalpy of Vaporization:64.12 kJ/mol; (12)Boiling Point:361.9 °C at 760 mmHg; (13)Vapour Pressure:7.19E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)n1cc(nc1)C(=O)O
(2)InChI: InChI=1/C7H10N2O2/c1-5(2)9-3-6(7(10)11)8-4-9/h3-5H,1-2H3,(H,10,11)
(3)InChIKey: XFCGFENUIALWFJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-5(2)9-3-6(7(10)11)8-4-9/h3-5H,1-2H3,(H,10,11)
(5)Std. InChIKey: XFCGFENUIALWFJ-UHFFFAOYSA-N

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