| CAS Number | 1250912-51-6 |
| Catalog Number | AG01A41Z(AGN-PC-0WO2JQ) |
| Chemical Name | 1-(1-methyl-1H-pyrazol-4-yl)propan-2-one |
| IUPAC Name | 1-(1-methylpyrazol-4-yl)propan-2-one |
| InChI | InChI=1S/C7H10N2O/c1-6(10)3-7-4-8-9(2)5-7/h4-5H,3H2,1-2H3 |
| InChI Key | BDBSPVDTFBEZLJ-UHFFFAOYSA-N |
| MDL Number | MFCD16685780 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CC(CC1=CN(C)N=C1)=O |
| Synonyms | 1-(1-methyl-1H-pyrazol-4-yl)propan-2-one,
1250912-51-6,
SCHEMBL19808057,
ZINC50541847,
AKOS011406535,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079313g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079313g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number