CAS No.112655-19-3,IMIDAZOLE-2-CARBOXALDEHYDE DIMETHYL ACETAL, 98+% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112655-19-3
Name:	IMIDAZOLE-2-CARBOXALDEHYDE DIMETHYL ACETAL, 98+%
Article Data:	2

Formula:	C₆H₁₀N₂O₂
Molecular Weight:	142.158
Synonyms:	2-(Dimethoxymethyl)imidazole;
Density:	1.149 g/cm³
Boiling Point:	267.589 °C at 760 mmHg
Flash Point:	98.053 °C
PSA:	47.14000
LogP:	0.70110

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Specification

The 1H-Imidazole,2-(dimethoxymethyl)-, with the CAS registry number 112655-19-3, is also known as 2-(Dimethoxymethyl)imidazole. This chemical's molecular formula is C₆H₁₀N₂O₂ and molecular weight is 142.1558. What's more, its IUPAC name and systematic name are the same which is called 2-(Dimethoxymethyl)-1H-imidazole.

Physical properties about 1H-Imidazole,2-(dimethoxymethyl)-: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 47.14 Å²; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 36.453 cm³; (14)Molar Volume: 123.777 cm³; (15)Surface Tension: 42.161 dyne/cm; (16)Density: 1.149 g/cm³; (17)Flash Point: 98.053 °C; (18)Enthalpy of Vaporization: 48.525 kJ/mol; (19)Boiling Point: 267.589 °C at 760 mmHg; (20)Vapour Pressure: 0.013 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C(OC)c1nccn1)C
(2) InChI: InChI=1/C6H10N2O2/c1-9-6(10-2)5-7-3-4-8-5/h3-4,6H,1-2H3,(H,7,8)
(3) InChIKey: DSSLAGQNEMWAEH-UHFFFAOYAN