CAS No.72830-07-0,3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72830-07-0
Name:	3,4-DIMETHOXY-2-METHYLPYRIDINE N-OXIDE
Article Data:	7

Formula:	C₈H₁₁NO₃
Molecular Weight:	169.18
Synonyms:	2-Methyl-3,4-dimethoxypyridineN-oxide;3,4-Dimethoxy-2-methylpyridine 1-oxide;
Density:	1.119 g/cm³
Boiling Point:	333.581 °C at 760 mmHg
Flash Point:	155.545 °C
PSA:	43.92000
LogP:	1.44070

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Specification

This chemical is called Pyridine, 3,4-dimethoxy-2-methyl-, 1-oxide, and its systematic name is 3,4-dimethoxy-2-methylpyridine 1-oxide. With the molecular formula of C₈H₁₁NO₃, its molecular weight is 169.18. The CAS registry number of this chemical is 72830-07-0.

Other characteristics of the Pyridine, 3,4-dimethoxy-2-methyl-, 1-oxide can be summarised as followings: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.92 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 43.892 cm³; (15)Molar Volume: 151.223 cm³; (16)Polarizability: 17.4×10^-24cm³; (17)Surface Tension: 33.568 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 155.545 °C; (20)Enthalpy of Vaporization: 55.36 kJ/mol; (21)Boiling Point: 333.581 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1c(cc[n+]([O-])c1C)OC
2.InChI: InChI=1/C8H11NO3/c1-6-8(12-3)7(11-2)4-5-9(6)10/h4-5H,1-3H3
3.InChIKey: UMVFRRJTPKYVAY-UHFFFAOYAB