| CAS Number | 941055-65-8 |
| Catalog Number | AG019KM9(AGN-PC-0WO6OZ) |
| Chemical Name | 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid |
| IUPAC Name | 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid |
| InChI | InChI=1S/C8H7N3O3/c12-7(13)5-11-8(14)10-4-2-1-3-6(10)9-11/h1-4H,5H2,(H,12,13) |
| InChI Key | XJKVVRVSPXRKSC-UHFFFAOYSA-N |
| MDL Number | MFCD09396709 |
| Molecular Formula | C8H7N3O3 |
| Molecular Weight | 193.1595 |
| SMILES | OC(CN1C(=O)N2C(C=CC=C2)=N1)=O |
| Synonyms | 2-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}acetic acid,
941055-65-8,
(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)acetic acid,
AC1Q75WL,
CTK7J5115,
ZINC12505539,
AKOS000200981,
NE28073,
EN300-27476,
Z270730308,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.162g/mol |
| Monoisotopic Mass | 193.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number