CAS No.13924-95-3,5-Hydroxypyrazine-2-carboxylic acid methyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13924-95-3
Name:	5-Hydroxypyrazine-2-carboxylic acid methyl ester
Article Data:	8

Formula:	C₆H₆N₂O₃
Molecular Weight:	154.125
Synonyms:	Pyrazinecarboxylicacid, 4,5-dihydro-5-oxo-, methyl ester (9CI);Pyrazinecarboxylic acid,5-hydroxy-, methyl ester (8CI);5-Hydroxypyrazine-2-carboxylic acid methylester;Methyl 5-hydroxy-2-pyrazinecarboxylate;Methyl5-oxo-4,5-dihydro-2-pyrazinecarboxylate;
EINECS:	1312995-182-4
Density:	1.399 g/cm³
Melting Point:	183-185 °C
Boiling Point:	424.1 °C at 760 mmHg
Flash Point:	210.3 °C
PSA:	72.31000
LogP:	-0.03120

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Specification

The systematic name of Methyl 5-hydroxypyrazine-2-carboxylate is methyl 5-oxo-4,5-dihydropyrazine-2-carboxylate. With the CAS registry number 13924-95-3, it is also named as 5-Hydroxypyrazine-2-carboxylic acid methyl ester. The product's category is Pyrazine. In addition, its molecular formula is C₆H₆N₂O₃ and molecular weight is 154.12.

The other characteristics of Methyl 5-hydroxypyrazine-2-carboxylate can be summarized as: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.76 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 36.66 cm³; (15)Molar Volume: 110.131 cm³; (16)Polarizability: 14.533×10^-24cm³; (17)Surface Tension: 50.588 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 210.3 °C; (20)Enthalpy of Vaporization: 70.48 kJ/mol; (21)Boiling Point: 424.1 °C at 760 mmHg; (22)Vapour Pressure: 8.58E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC)C=1\N=C/C(=O)NC=1
(2)InChI: InChI=1/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9)
(3)InChIKey: VNFXNPFSTYYFCZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H6N2O3/c1-11-6(10)4-2-8-5(9)3-7-4/h2-3H,1H3,(H,8,9)
(5)Std. InChIKey: VNFXNPFSTYYFCZ-UHFFFAOYSA-N