| CAS Number | 1363381-90-1 |
| Catalog Number | AG0011P9(AGN-PC-0WAG5W) |
| Chemical Name | 1H-Pyrazolo[3,4-c]pyridine-4-carboxylic acid, methyl ester |
| IUPAC Name | methyl 1H-pyrazolo[3,4-c]pyridine-4-carboxylate |
| InChI | InChI=1S/C8H7N3O2/c1-13-8(12)6-2-9-4-7-5(6)3-10-11-7/h2-4H,1H3,(H,10,11) |
| InChI Key | MIDQIWWMYIACPH-UHFFFAOYSA-N |
| MDL Number | MFCD22566126 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | O=C(C1=CN=CC2=C1C=NN2)OC |
| Synonyms | METHYL 1H-PYRAZOLO[3,4-C]PYRIDINE-4-CARBOXYLATE,
1363381-90-1,
MFCD22566126,
ZINC206025303,
FCH2289886,
PB37579,
SB20033,
KS-000006T1,
AK172146,
AS-51686,
CS-0049244,
Q-3736,
1H-Pyrazolo[3,4-c]pyridine-4-carboxylic acid, methyl ester,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number