CAS No.41110-33-2,METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41110-33-2
Name:	METHYL 5-METHYLPYRAZINE-2-CARBOXYLATE
Article Data:	14

Formula:	C₇H₈N₂O₂
Molecular Weight:	152.153
Synonyms:	Pyrazinecarboxylicacid, 5-methyl-, methyl ester (9CI);2-Methoxycarbonyl-5-methylpyrazine;Methyl5-methylpyrazine-2-carboxylate;5-Methylpyrazine-2-carboxylic acid methyl ester;
Density:	1.169 g/cm³
Boiling Point:	234.1 °C at 760 mmHg
Flash Point:	95.4 °C
PSA:	52.08000
LogP:	0.57160

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Specification

The 2-Pyrazinecarboxylicacid, 5-methyl-, methyl ester, with the CAS registry number 41110-33-2, has the systematic name and IUPAC name of methyl 5-methylpyrazine-2-carboxylate. And the molecular formula of this chemical is C₇H₈N₂O₂. It belongs to the following product categories: Glycinescaffold; Esters; Pyrazines, Pyrimidines & Pyridazines.

The physical properties of 2-Pyrazinecarboxylicacid, 5-methyl-, methyl ester are as following: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.28; (8)ACD/KOC (pH 7.4): 28.28; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 39.03 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 15.47×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.169 g/cm³; (19)Flash Point: 95.4 °C; (20)Enthalpy of Vaporization: 47.08 kJ/mol; (21)Boiling Point: 234.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0538 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ncc(nc1)C
(2)InChI: InChI=1/C7H8N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h3-4H,1-2H3
(3)InChIKey: CRBOSZMVDHYLJE-UHFFFAOYAN