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67792-82-9

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Basic Information
CAS No.: 67792-82-9
Name: 2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 67792-82-9 (2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID)
Formula: C10H8N2O2
Molecular Weight: 188.18
Synonyms: 2-(1H-Imidazol-2-yl)benzoicacid;2-(2-Carboxyphenyl)imidazole;2-Imidazol-2-ylbenzoic acid;
Density: 1.356 g/cm3
Boiling Point: 477.242 °C at 760 mmHg
Flash Point: 242.428 °C
PSA: 65.98000
LogP: 1.77490
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    Molecular Formula: C10H8N2O2 Formula Weight: 188.18272

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Specification

The Benzoicacid, 2-(1H-imidazol-2-yl)-, with the CAS registry number 67792-82-9, is also known as 2-(2-Carboxyphenyl)imidazole. This chemical's molecular formula is C10H8N2O2 and molecular weight is 188.18. What's more, its systematic name is 2-(1H-Imidazol-2-yl)benzoic acid. 

Physical properties of Benzoicacid, 2-(1H-imidazol-2-yl)- are: (1)ACD/LogP: 0.62; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 50.299 cm3; (13)Molar Volume: 138.794 cm3; (14)Polarizability: 19.94×10-24 cm3; (15)Surface Tension: 66.611 dyne/cm; (16)Density: 1.356 g/cm3; (17)Flash Point: 242.428 °C; (18)Enthalpy of Vaporization: 78.07 kJ/mol; (19)Boiling Point: 477.242 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C2=NC=CN2)C(=O)O
(2)InChI: InChI=1S/C10H8N2O2/c13-10(14)8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H,(H,11,12)(H,13,14)
(3)InChIKey: FUEMPHNPKCZCQE-UHFFFAOYSA-N