| CAS Number | 1484437-84-4 |
| Catalog Number | AG01B7LX(AGN-PC-0WOEKH) |
| Chemical Name | 2-methoxy-2-(1-methyl-1H-pyrazol-4-yl)acetonitrile |
| IUPAC Name | 2-methoxy-2-(1-methylpyrazol-4-yl)acetonitrile |
| InChI | InChI=1S/C7H9N3O/c1-10-5-6(4-9-10)7(3-8)11-2/h4-5,7H,1-2H3 |
| InChI Key | OBRHWYUKMDCTJB-UHFFFAOYSA-N |
| MDL Number | MFCD21684313 |
| Molecular Formula | C7H9N3O |
| Molecular Weight | 151.1659 |
| SMILES | COC(C1=CN(C)N=C1)C#N |
| Synonyms | 2-methoxy-2-(1-methyl-1H-pyrazol-4-yl)acetonitrile,
1484437-84-4,
SCHEMBL16249201,
AKOS015413613,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.169g/mol |
| Monoisotopic Mass | 151.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number