Basic Information | Post buying leads | Suppliers |
Name |
[1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylic acid |
EINECS | N/A |
CAS No. | 1245644-97-6 | Density | 1.792 g/cm3 |
PSA | 80.38000 | LogP | -0.17750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4N4O2 | Boiling Point | N/A |
Molecular Weight | 164.03 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[1,2,4]Triazolo[4,3-a]pyrazine-3-carboxylicacid; |
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