| CAS Number | 1340123-45-6 |
| Catalog Number | AG01ADKV |
| Chemical Name | 2-(5-amino-4-cyano-1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-(5-amino-4-cyanopyrazol-1-yl)acetic acid |
| InChI | InChI=1S/C6H6N4O2/c7-1-4-2-9-10(6(4)8)3-5(11)12/h2H,3,8H2,(H,11,12) |
| InChI Key | NTZWEJVVSHMYJV-UHFFFAOYSA-N |
| MDL Number | MFCD18307165 |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.1374 |
| SMILES | NC1N(CC(O)=O)N=CC=1C#N |
| Synonyms | 2-(5-amino-4-cyano-1H-pyrazol-1-yl)acetic acid,
1340123-45-6,
AKOS012580585,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.14g/mol |
| Monoisotopic Mass | 166.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number