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157198-79-3

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Basic Information
CAS No.: 157198-79-3
Name: 2-(1H-BENZIMIDAZOL-1-YL)PROPANOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 157198-79-3 (2-(1H-BENZIMIDAZOL-1-YL)PROPANOIC ACID)
Formula: C10H10N2O2
Molecular Weight: 190.202
Synonyms: 2-Benzoimidazol-1-yl-propionic acid;
Density: 1.3 g/cm3
Melting Point: 180 °C
Boiling Point: 391 °C at 760 mmHg
Flash Point: 190.3 °C
PSA: 55.12000
LogP: 1.68190
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Specification

The 1H-Benzimidazole-1-aceticacid, alpha-methyl-, with the CAS registry number 157198-79-3, is also known as 2-Benzoimidazol-1-yl-propionic acid. It belongs to the product categories of Benzimidazole; Imidazol & Benzimidazole. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.1986. Its systematic name is called 2-(benzimidazol-1-yl)propanoic acid. 

Physical properties of 1H-Benzimidazole-1-aceticacid, alpha-methyl-: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): -0.65; (3)ACD/LogD (pH 7.4): -1.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.18; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 52.05 cm3; (13)Molar Volume: 145.7 cm3; (14)Surface Tension: 50.5 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 190.3 °C; (17)Enthalpy of Vaporization: 67.56 kJ/mol; (18)Boiling Point: 391 °C at 760 mmHg; (19)Vapour Pressure: 8.16E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)N1C=NC2=CC=CC=C21
(2)InChI: InChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)
(3)InChIKey: KPWHLUYPAQJXFJ-UHFFFAOYSA-N