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81376-54-7

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Basic Information
CAS No.: 81376-54-7
Name: 4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENOL
Article Data: 4
Molecular Structure:
Molecular Structure of 81376-54-7 (4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENOL)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: 4-(2-Methylimidazol-1-yl)phenol;4-(2-Methyl-1H-imidazol-1-yl)phenol;
Density: 1.17 g/cm3
Boiling Point: 373.8 °C at 760 mmHg
Flash Point: 179.9 °C
PSA: 38.05000
LogP: 1.88630
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Specification

The Phenol,4-(2-methyl-1H-imidazol-1-yl)-, with the CAS registry number 81376-54-7, is also known as 4-(2-Methylimidazol-1-yl)phenol. This chemical's molecular formula is C10H10N2O and molecular weight is 174.20. What's more, its systematic name is 4-(2-Methyl-1H-imidazol-1-yl)phenol.

Physical properties of Phenol,4-(2-methyl-1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.55; (7)ACD/KOC (pH 5.5): 3.15; (8)ACD/KOC (pH 7.4): 87.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 51.2 cm3; (15)Molar Volume: 148.3 cm3; (16)Polarizability: 20.3×10-24 cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 179.9 °C; (20)Enthalpy of Vaporization: 64.55 kJ/mol; (21)Boiling Point: 373.8 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(n1ccnc1C)cc2
(2)InChI: InChI=1/C10H10N2O/c1-8-11-6-7-12(8)9-2-4-10(13)5-3-9/h2-7,13H,1H3
(3)InChIKey: LJPLOQIJTWHHOM-UHFFFAOYSA-N