| CAS Number | 1251922-88-9 |
| Catalog Number | AG01AA10 |
| Chemical Name | 3-{4-methyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid hydrochloride |
| IUPAC Name | 3-(4-methyl-3,6-dioxo-2,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H11N3O4.ClH/c1-4-5(2-3-6(14)15)9(16)11-8-7(4)10(17)13-12-8;/h2-3H2,1H3,(H,14,15)(H3,11,12,13,16,17);1H |
| InChI Key | TWDBAJYQZUYMRP-UHFFFAOYSA-N |
| MDL Number | MFCD16817522 |
| Molecular Formula | C10H12ClN3O4 |
| Molecular Weight | 273.6730 |
| SMILES | Cl.CC1C2=C(NNC2=O)NC(=O)C=1CCC(O)=O |
| Synonyms | 3-{4-methyl-3,6-dioxo-1H,2H,3H,6H,7H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid hydrochloride,
1251922-88-9,
AC1Q39C4,
NE42726,
EN300-66745,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.673g/mol |
| Monoisotopic Mass | 273.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number