související chemický

CAS 753489-92-8 chemický vzorec, CAS 753489-92-8 MSDS, CAS 753489-92-8 chemické vlastnosti

CAS Number 753489-92-8
Chem Název 1H-Benzimidazole-1-aceticacid, α,2-dimethyl
vzorec C11H12N2O2
struktura
synonyma 2-(2-Methyl-1H-1,3-benzodiazol-1-yl)propanoic acid;α,2-Dimethyl-1H-benzimidazole-1-acetic acid;2-(2-Methyl-benzoimidazol-1-yl)-propionic acid;2-(2-Methyl-1H-benzimidazol-1-yl)propanoic acid;
Nemovitosti

CAS Number 753489-92-8 Nemovitosti (MSDS)

Specification

The 1H-Benzimidazole-1-aceticacid, α,2-dimethyl-, with the CAS registry number 753489-92-8, is also known as 2-(2-methyl-1H-benzimidazol-1-yl)propanoic acid. This chemical's molecular formula is C11H12N2O2 and molecular weight is 204.23. What's more, its IUPAC name is 2-(2-methylbenzimidazol-1-yl)propanoic acid.

Physical properties of 1H-Benzimidazole-1-aceticacid, α,2-dimethyl- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 56.48 cm3; (15)Molar Volume: 160.9 cm3; (16)Polarizability: 22.39×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 70.81 kJ/mol; (21)Boiling Point: 418.2 °C at 760 mmHg; (22)Vapour Pressure: 9.68E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=CC=CC=C2N1C(C)C(=O)O
(2)InChI: InChI=1S/C11H12N2O2/c1-7(11(14)15)13-8(2)12-9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15)
(3)InChIKey: MZCOUPNAPANBEY-UHFFFAOYSA-N