| CAS Number | 1423182-25-5 |
| Catalog Number | AG01A1GZ |
| Chemical Name | 3-(Ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
| IUPAC Name | 3-ethoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid |
| InChI | InChI=1S/C10H9N3O4/c1-2-17-10(16)6-5-12-13-7(9(14)15)3-4-11-8(6)13/h3-5H,2H2,1H3,(H,14,15) |
| InChI Key | WQZHWQNQGATNGH-UHFFFAOYSA-N |
| MDL Number | MFCD23701773 |
| Molecular Formula | C10H9N3O4 |
| Molecular Weight | 235.1962 |
| SMILES | CCOC(C1=C2N(C(C(O)=O)=CC=N2)N=C1)=O |
| Synonyms | 3-(ethoxycarbonyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid,
1423182-25-5,
ZINC84800525,
AKOS033399024,
MCULE-9133977665,
NE19453,
Z1526503285,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.199g/mol |
| Monoisotopic Mass | 235.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number