| CAS Number | 1849407-91-5 |
| Catalog Number | AG01DZ4O |
| Chemical Name | 1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C7H9N3O/c1-6-7(4-8)5-10(9-6)2-3-11/h5,11H,2-3H2,1H3 |
| InChI Key | JHAVGSJOKWLAOV-UHFFFAOYSA-N |
| MDL Number | MFCD31559761 |
| Molecular Formula | C7H9N3O |
| Molecular Weight | 151.1659 |
| SMILES | CC1C(C#N)=CN(CCO)N=1 |
| Synonyms | 1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile,
1849407-91-5,
AKOS033789670,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.169g/mol |
| Monoisotopic Mass | 151.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number