| CAS Number | 1936047-52-7 |
| Catalog Number | AG00I2ZW |
| Chemical Name | 1-(1H-Pyrazolo[3,4-b]pyridin-1-yl)propan-2-one |
| IUPAC Name | 1-pyrazolo[3,4-b]pyridin-1-ylpropan-2-one |
| InChI | InChI=1S/C9H9N3O/c1-7(13)6-12-9-8(5-11-12)3-2-4-10-9/h2-5H,6H2,1H3 |
| InChI Key | LBFVTGSPNKRVPK-UHFFFAOYSA-N |
| MDL Number | MFCD28404683 |
| Molecular Formula | C9H9N3O |
| Molecular Weight | 175.1873 |
| SMILES | CC(=O)CN1N=CC2=CC=CN=C12 |
| Synonyms | 1-(1H-Pyrazolo[3,4-b]pyridin-1-yl)propan-2-one,
1936047-52-7,
SCHEMBL12726146,
MFCD28404683,
ZINC79065250,
AKOS027330884,
CS-W000647,
AS-39411,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.191g/mol |
| Monoisotopic Mass | 175.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number