Basic information
- Name:
2-Pyrazinecarboxylicacid, 3,4-dihydro-3-oxo-, methyl ester
- Superlist Name:
- Methyl 2-hydroxy-3-pyrazinecarboxylate
- CAS No.:
27825-20-3
- Molecular Structure:
- Formula:
- C6H6N2O3
- Molecular Weight:
- 154.12
- Synonyms:
- 3-(Methoxycarbonyl)pyrazin-2-one;3-Oxo-3,4-dihydro-2-pyrazinecarboxylicacid methyl ester;Methyl 3-hydroxypyrazinoate;Methyl3-oxo-3,4-dihydro-pyrazine-2-carboxylate;Pyrazinoic acid, 3-hydroxy-, methyl ester(6CI);Pyrazinecarboxylic acid,3-hydroxy-, methyl ester (8CI);Pyrazinecarboxylicacid, 3,4-dihydro-3-oxo-, methyl ester (9CI);
- Density:
- 1.39 g/cm3
- Boiling Point:
- 417.9 °C at 760 mmHg
- Flash Point:
- 206.5 °C
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Specification
The 2-Pyrazinecarboxylicacid, 3,4-dihydro-3-oxo-, methyl ester, with the CAS registry number 27825-20-3, is also known as Methyl 3-oxo-3,4-dihydropyrazine-2-carboxylate. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H6N2O3 and molecular weight is 154.12. What's more, its IUPAC name is called Methyl 2-oxo-1H-pyrazine-3-carboxylate.
Physical properties about 2-Pyrazinecarboxylicacid, 3,4-dihydro-3-oxo-, methyl ester are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.88; (8)ACD/KOC (pH 7.4): 9.87; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 36.65 cm3; (15)Molar Volume: 110.1 cm3; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.39 g/cm3; (18)Flash Point: 206.5 °C; (19)Enthalpy of Vaporization: 69.73 kJ/mol; (20)Boiling Point: 417.9 °C at 760 mmHg; (21)Vapour Pressure: 1.41E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N/C=C\N=C1\C(=O)OC
(2) InChI: InChI=1S/C6H6N2O3/c1-11-6(10)4-5(9)8-3-2-7-4/h2-3H,1H3,(H,8,9)
(3) InChIKey: YVUBNSIFWJGXBQ-UHFFFAOYSA-N
