| CAS Number | 2109805-74-3 |
| Catalog Number | AG01FSD7(AGN-PC-3H602L) |
| Chemical Name | tert-Butyl 5,6-dihydro-1H-pyrazolo[3,4-b]pyridine-7(4H)-carboxylate |
| IUPAC Name | tert-butyl 1,4,5,6-tetrahydropyrazolo[3,4-b]pyridine-7-carboxylate |
| InChI | InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-4-5-8-7-12-13-9(8)14/h7H,4-6H2,1-3H3,(H,12,13) |
| InChI Key | VUBPSENHUFJDLP-UHFFFAOYSA-N |
| MDL Number | MFCD31539843 |
| Molecular Formula | C11H17N3O2 |
| Molecular Weight | 223.2716 |
| SMILES | N1N=CC2=C1N(CCC2)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 5,6-dihydro-1H-pyrazolo[3,4-b]pyridine-7(4H)-carboxylate,
2109805-74-3,
AK688826,
DS-20216,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.132077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.27g/mol |
| Monoisotopic Mass | 223.132077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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