Ethyl 2-ethyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate - CAS 1174879-40-3
Catalog: |
BB053110 |
Product Name: |
Ethyl 2-ethyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate |
CAS: |
1174879-40-3 |
Synonyms: |
ethyl2-ethyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate |
IUPAC Name: | ethyl 2-ethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate |
Molecular Weight: | 235.24 |
Molecular Formula: | C11H13N3O3 |
Canonical SMILES: | CCN1C=C2C(=CC(=O)NC2=N1)C(=O)OCC |
InChI: | InChI=1S/C11H13N3O3/c1-3-14-6-8-7(11(16)17-4-2)5-9(15)12-10(8)13-14/h5-6H,3-4H2,1-2H3,(H,12,13,15) |
InChI Key: | IBCHTHBBPLADMG-UHFFFAOYSA-N |
Boiling Point: | 464.7±45.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.09569129 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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