| CAS Number | 1246552-63-5 |
| Catalog Number | AG000MJ8(AGN-PC-0WCXUA) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, ethyl ester |
| IUPAC Name | ethyl 6-oxo-1,7-dihydropyrazolo[3,4-b]pyridine-4-carboxylate |
| InChI | InChI=1S/C9H9N3O3/c1-2-15-9(14)5-3-7(13)11-8-6(5)4-10-12-8/h3-4H,2H2,1H3,(H2,10,11,12,13) |
| InChI Key | KECQKNGBRNTZCJ-UHFFFAOYSA-N |
| MDL Number | MFCD29044940 |
| Molecular Formula | C9H9N3O3 |
| Molecular Weight | 207.1861 |
| SMILES | O=C(C(C1=C(NN=C1)N2)=CC2=O)OCC |
| Synonyms | 1246552-63-5,
ethyl 6-hydroxy-1H-pyrazolo[3,4-b]pyridine-4-carboxylate,
Ethyl 6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylate,
SCHEMBL12118854,
KECQKNGBRNTZCJ-UHFFFAOYSA-N,
MFCD18253854,
ZINC143103351,
CS-W000473,
AS-39913,
FT-0735146,
6-hydroxy-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester,
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, ethyl ester,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.189g/mol |
| Monoisotopic Mass | 207.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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