3-Cyclopropyl-2-ethyl-6-oxo-2H,6H,7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1160246-16-1
Catalog: |
BB053039 |
Product Name: |
3-Cyclopropyl-2-ethyl-6-oxo-2H,6H,7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1160246-16-1 |
Synonyms: |
3-cyclopropyl-2-ethyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 3-cyclopropyl-2-ethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Molecular Weight: | 247.25 |
Molecular Formula: | C12H13N3O3 |
Canonical SMILES: | CCN1C(=C2C(=CC(=O)NC2=N1)C(=O)O)C3CC3 |
InChI: | InChI=1S/C12H13N3O3/c1-2-15-10(6-3-4-6)9-7(12(17)18)5-8(16)13-11(9)14-15/h5-6H,2-4H2,1H3,(H,17,18)(H,13,14,16) |
InChI Key: | OASCOKZEWALBGO-UHFFFAOYSA-N |
Boiling Point: | 500.8±50.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.09569129 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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