| CAS Number | 1609404-05-8 |
| Catalog Number | AG00J2P4(AGN-PC-0WB6VE) |
| Chemical Name | [1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate |
| IUPAC Name | [1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;dihydrate |
| InChI | InChI=1S/C7H5N3O2.2H2O/c11-7(12)5-2-1-3-10-4-8-9-6(5)10;;/h1-4H,(H,11,12);2*1H2 |
| InChI Key | PHBJWVWRQXTFLC-UHFFFAOYSA-N |
| MDL Number | MFCD18431869 |
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.1641 |
| SMILES | C12=NN=CN1C=CC=C2C(O)=O.O.O |
| Synonyms | [1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate,
1609404-05-8,
ZX-CM010316,
MFCD28024763,
AKOS027426692,
[1,2,4]Triazolo[4,3-a]pyridine-8-carboxylic acid dihydrate, AldrichCPR,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.166g/mol |
| Monoisotopic Mass | 199.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number