| CAS Number | 1305712-33-7 |
| Catalog Number | AG01EKAA(AGN-PC-0WO6PP) |
| Chemical Name | 4-hydroxy-1-methyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-5-carboxylic acid |
| IUPAC Name | 1-methyl-3,4-dioxo-2,7-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid |
| InChI | InChI=1S/C8H7N3O4/c1-11-6-4(7(13)10-11)5(12)3(2-9-6)8(14)15/h2H,1H3,(H,9,12)(H,10,13)(H,14,15) |
| InChI Key | ROPJQCQIBFMBSO-UHFFFAOYSA-N |
| MDL Number | MFCD18089378 |
| Molecular Formula | C8H7N3O4 |
| Molecular Weight | 209.1589 |
| SMILES | CN1C2=C(C(=C(C(O)=O)C=N2)O)C(=O)N1 |
| Synonyms | 4-hydroxy-1-methyl-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
1305712-33-7,
AC1Q40GJ,
ZINC58037673,
AKOS026728290,
MCULE-7401286903,
NE62239,
EN300-66793,
Z1171978803,
1-methyl-3,4-dioxo-1H,2H,3H,4H,7H-pyrazolo[3,4-b]pyridine-5-carboxylic acid,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.161g/mol |
| Monoisotopic Mass | 209.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number