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52755-94-9

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Basic Information
CAS No.: 52755-94-9
Name: 2-(1-METHYL-1H-IMIDAZOL-2-YL)-PHENOL
Article Data: 5
Molecular Structure:
Molecular Structure of 52755-94-9 (2-(1-METHYL-1H-IMIDAZOL-2-YL)-PHENOL)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: 1-Methyl-2-(2-hydroxyphenyl)imidazole;1-Methyl-2-(2'-Hydroxyphenyl)imidazole;2-(1-Methyl-1H-imidazol-2-yl)phenol;
Density: 1.17g/cm3
Boiling Point: 354.9 °C at 760 mmHg
Flash Point: 168.5 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 38.05000
LogP: 1.79270
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    Molecular Formula: C10H10N2O Formula Weight: 174.1992

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Specification

The Phenol,2-(1-methyl-1H-imidazol-2-yl)-, with CAS registry number 52755-94-9, has the systematic name of 2-(1-methyl-1H-imidazol-2-yl)phenol. Besides this, it is also called 1-Methyl-2-(2-hydroxyphenyl)imidazole. And the chemical formula of this chemical is C10H10N2O.

Physical properties of Phenol,2-(1-methyl-1H-imidazol-2-yl)-: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 4.52; (6)ACD/BCF (pH 7.4): 12.31; (7)ACD/KOC (pH 5.5): 75.91; (8)ACD/KOC (pH 7.4): 206.68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 51.2 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 20.3×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 168.5 °C; (20)Enthalpy of Vaporization: 62.37 kJ/mol; (21)Boiling Point: 354.9 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccccc1c2nccn2C
(2)InChI: InChI=1/C10H10N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h2-7,13H,1H3
(3)InChIKey: CLROAKSNPWGIEW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H10N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h2-7,13H,1H3
(5)Std. InChIKey: CLROAKSNPWGIEW-UHFFFAOYSA-N