CAS No.1245644-97-6,[1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylicacid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1245644-97-6
Name:	[1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylicacid

Formula:	C₆H₄N₄O₂
Molecular Weight:	164.03
Synonyms:	[1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylicacid;
Density:	1.792 g/cm³
PSA:	80.38000
LogP:	-0.17750

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Specification

The systematic name of this chemical is [1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylic acid. The CAS registry number 1245644-97-6. In addition, the molecular formula is C₆H₄N₄O₂ and the molecular weight is 164.03. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 80.38 Å²; (9)Index of Refraction: 1.822; (10)Molar Refractivity: 39.917 cm³; (11)Molar Volume: 91.56 cm³; (12)Polarizability: 15.824 ×10^-24cm³; (13)Surface Tension: 88.909 dyne/cm; (14)Density: 1.792 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(cn1)nnc2C(=O)O
(2)InChI: InChI=1/C6H4N4O2/c11-6(12)5-9-8-4-3-7-1-2-10(4)5/h1-3H,(H,11,12)
(3)InChIKey: DEKZPGQGALUACN-UHFFFAOYAW