| CAS Number | 1095822-30-2 |
| Catalog Number | AG0091HD(AGN-PC-0WCKS3) |
| Chemical Name | 1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid |
| IUPAC Name | 1-methylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2/c1-11-6-4(2-10-11)5(7(12)13)8-3-9-6/h2-3H,1H3,(H,12,13) |
| InChI Key | PZXHTCLSLSBBIU-UHFFFAOYSA-N |
| MDL Number | MFCD16619896 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | CN1N=CC=2C1=NC=NC2C(=O)O |
| Synonyms | 1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-CARBOXYLIC ACID,
1095822-30-2,
SCHEMBL12590757,
KS-000006XM,
MFCD16619896,
ZINC95742647,
AKOS025403270,
PB31772,
AS-42733,
CS-0052463,
Q-3219,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number