Ethyl 2-Butyl-6-Oxo-6,7-Dihydro-2H-Pyrazolo[3,4-B]Pyridine-4-Carboxylate - CAS 1245771-79-2
Catalog: |
BB053111 |
Product Name: |
Ethyl 2-Butyl-6-Oxo-6,7-Dihydro-2H-Pyrazolo[3,4-B]Pyridine-4-Carboxylate |
CAS: |
1245771-79-2 |
Synonyms: |
ethyl2-butyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate |
IUPAC Name: | ethyl 2-butyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate |
Molecular Weight: | 263.29 |
Molecular Formula: | C13H17N3O3 |
Canonical SMILES: | CCCCN1C=C2C(=CC(=O)NC2=N1)C(=O)OCC |
InChI: | InChI=1S/C13H17N3O3/c1-3-5-6-16-8-10-9(13(18)19-4-2)7-11(17)14-12(10)15-16/h7-8H,3-6H2,1-2H3,(H,14,15,17) |
InChI Key: | SVICZURWOPGZBI-UHFFFAOYSA-N |
Boiling Point: | 476.9±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.12699141 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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