| CAS Number | 1286754-47-9 |
| Catalog Number | AG000YB3(AGN-PC-0WAKL2) |
| Chemical Name | 1H-Pyrazolo[3,4-b]pyrazine-3-carboxylic acid |
| IUPAC Name | 2H-pyrazolo[3,4-b]pyrazine-3-carboxylic acid |
| InChI | InChI=1S/C6H4N4O2/c11-6(12)4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H,11,12)(H,8,9,10) |
| InChI Key | MWPWLVCWUBHDTP-UHFFFAOYSA-N |
| MDL Number | MFCD27987648 |
| Molecular Formula | C6H4N4O2 |
| Molecular Weight | 164.1216 |
| SMILES | O=C(O)c1n[nH]c2nccnc12 |
| Synonyms | 1H-Pyrazolo[3,4-b]pyrazine-3-carboxylic acid,
1286754-47-9,
KS-000005UB,
MFCD27987648,
ZINC76594653,
AKOS023202548,
SB14746,
AS-52966,
CS-0052522,
1H-pyrazolo[3,4-b]pyrazine-3-carboxylicacid,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.124g/mol |
| Monoisotopic Mass | 164.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number