The 5-Methoxy-2(1H)-pyrazinone, with CAS registry number 134510-06-8, has the systematic name of 5-Methoxypyrazin-2(1H)-one. Besides this, it is also called 2(1H)-pyrazinone, 5-methoxy-. Its molecular weight is 126.11. And the chemical formula of this chemical is C5H6N2O2.
Physical properties of 5-Methoxy-2(1H)-pyrazinone: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.72; (5)ACD/KOC (pH 7.4): 3.72; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.69 Å2; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 31.19 cm3; (12)Molar Volume: 96.5 cm3; (13)Polarizability: 12.36×10-24cm3; (14)Surface Tension: 44.4 dyne/cm; (15)Density: 1.3 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c[nH]c(=O)cn1
(2)InChI: InChI=1/C5H6N2O2/c1-9-5-3-6-4(8)2-7-5/h2-3H,1H3,(H,6,8)
(3)InChIKey: NONILYRWHLEPEG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H6N2O2/c1-9-5-3-6-4(8)2-7-5/h2-3H,1H3,(H,6,8)
(5)Std. InChIKey: NONILYRWHLEPEG-UHFFFAOYSA-N
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