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159589-71-6

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Basic Information
CAS No.: 159589-71-6
Name: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid
Article Data: 1
Molecular Structure:
Molecular Structure of 159589-71-6 (2-(2-Methyl-1H-imidazol-1-yl)benzoic acid)
Formula: C11H10N2O2
Molecular Weight: 202.213
Synonyms: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid;2-(2-Methyl-1H-imidazol-1-yl)benzoic acid , Tech;1-(2-Carboxyphenyl)-2-methyl-1H-imidazole
Density: 1.24 g/cm3
Melting Point: 232.1 °C
Boiling Point: 429.1 °C at 760 mmHg
Flash Point: 213.3 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 55.12000
LogP: 1.87890
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Specification

The Benzoic acid,2-(2-methyl-1H-imidazol-1-yl)- is an organic compound with the formula C11H10N2O2. The systematic name of this chemical is 2-(2-Methylimidazol-1-yl)benzoic acid. The CAS registry number of this chemical is 159589-71-6. Besides, its molecular weight is 202.2093.

Physical properties about Benzoic acid,2-(2-methyl-1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.91; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 55.12 Å2; (6)Index of Refraction: 1.617; (7)Molar Refractivity: 56.66 cm3; (8)Molar Volume: 161.8 cm3; (9)Polarizability: 22.46×10-24 cm3; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.24 g/cm3; (12)Flash Point: 213.3 °C; (13)Enthalpy of Vaporization: 72.13 kJ/mol; (14)Boiling Point: 429.1 °C at 760 mmHg; (15)Vapour Pressure: 3.99E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H10N2O2/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11(14)15/h2-7H,1H3,(H,14,15)
(2)InChIKey: PDOVVVXGESUKQF-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C11H10N2O2/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11(14)15/h2-7H,1H3,(H,14,15)
(4)Std. InChIKey: PDOVVVXGESUKQF-UHFFFAOYSA-N