6-Methylpyrazine-2-carboxylic acid supplier

Name
6-Methylpyrazine-2-carboxylic acid
EINECS
CAS No. 5521-61-9
Article Data8
CAS DataBase
Density 1.319 g/cm³
Solubility
Melting Point 138-140ºC
Formula C₆H₆N₂O₂
Boiling Point 302.8 °C at 760 mmHg
Molecular Weight 138.126
Flash Point 136.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinecarboxylicacid, 6-methyl- (7CI,8CI,9CI);2-Methylpyrazine-6-carboxylic acid;6-Methyl-2-pyrazinecarboxylic acid;6-methylpyrazine-2-carboxylic acid;2-pyrazinecarboxylic acid, 6-methyl-;Pyrazinecarboxylic acid, 6-methyl-;
PSA 63.08000
LogP 0.48320

6-Methylpyrazine-2-carboxylic acid Specification

The 6-Methylpyrazine-2-carboxylic acid, with the CAS registry number 5521-61-9, has the systematic name and IUPAC name of 6-methylpyrazine-2-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₆N₂O₂.

The characteristics of 6-Methylpyrazine-2-carboxylic acid are as followings: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.08 Å²; (11)Index of Refraction: 1.566; (12)Molar Refractivity: 34.19 cm³; (13)Molar Volume: 104.6 cm³; (14)Polarizability: 13.55×10^-24cm³; (15)Surface Tension: 63.3 dyne/cm; (16)Density: 1.319 g/cm³; (17)Flash Point: 136.9 °C; (18)Enthalpy of Vaporization: 57.34 kJ/mol; (19)Boiling Point: 302.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000428 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cncc(C)n1
(2)InChI: InChI=1/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
(3)InChIKey: YDSUJIRXXROKQG-UHFFFAOYAX

Product Name

6-Methylpyrazine-2-carboxylic acid

6-Methylpyrazine-2-carboxylic acid Specification

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