| CAS Number | 1253696-35-3 |
| Catalog Number | AG019WAV(AGN-PC-0WODS3) |
| Chemical Name | 6-Formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| IUPAC Name | 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| InChI | InChI=1S/C8H4N4O/c9-1-7-3-11-12-4-6(5-13)2-10-8(7)12/h2-5H |
| InChI Key | YRXCWLJVNBJLCU-UHFFFAOYSA-N |
| MDL Number | MFCD18089373 |
| Molecular Formula | C8H4N4O |
| Molecular Weight | 172.1436 |
| SMILES | O=CC1=CN2C(=C(C=N2)C#N)N=C1 |
| Synonyms | 6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile,
1253696-35-3,
AC1Q6PXW,
ZINC58033342,
AKOS022710550,
CS-0080919,
EN300-51270,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.147g/mol |
| Monoisotopic Mass | 172.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number