| CAS Number | 1955519-48-8 |
| Catalog Number | AG01B4WO |
| Chemical Name | 2-amino-3-(1H-pyrazol-3-yl)propanoic acid dihydrochloride |
| IUPAC Name | 2-amino-3-(1H-pyrazol-5-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C6H9N3O2.2ClH/c7-5(6(10)11)3-4-1-2-8-9-4;;/h1-2,5H,3,7H2,(H,8,9)(H,10,11);2*1H |
| InChI Key | UGYUPLJITQMWAR-UHFFFAOYSA-N |
| MDL Number | MFCD29991819 |
| Molecular Formula | C6H11Cl2N3O2 |
| Molecular Weight | 228.0764 |
| SMILES | Cl.Cl.NC(C(O)=O)CC1=NNC=C1 |
| Synonyms | 2-amino-3-(1H-pyrazol-3-yl)propanoic acid dihydrochloride,
1955519-48-8,
Z2785819856,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.073g/mol |
| Monoisotopic Mass | 227.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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