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2-(1H-Imidazol-2-yl)benzoic acid

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Name

2-(1H-Imidazol-2-yl)benzoic acid

EINECS N/A
CAS No. 67792-82-9 Density 1.356 g/cm3
PSA 65.98000 LogP 1.77490
Solubility N/A Melting Point N/A
Formula C10H8N2O2 Boiling Point 477.242 °C at 760 mmHg
Molecular Weight 188.18 Flash Point 242.428 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67792-82-9 (2-(1H-IMIDAZOL-2-YL)-BENZOIC ACID) Hazard Symbols N/A
Synonyms

2-(1H-Imidazol-2-yl)benzoicacid;2-(2-Carboxyphenyl)imidazole;2-Imidazol-2-ylbenzoic acid;

Article Data 3

2-(1H-Imidazol-2-yl)benzoic acid 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

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