| CAS Number | 17357-74-3 |
| Catalog Number | AG001Z1M(AGN-PC-0WD08B) |
| Chemical Name | Ethanone, 1-(5-methyl-1H-pyrazol-3-yl)- |
| IUPAC Name | 1-(5-methyl-1H-pyrazol-3-yl)ethanone |
| InChI | InChI=1S/C6H8N2O/c1-4-3-6(5(2)9)8-7-4/h3H,1-2H3,(H,7,8) |
| InChI Key | WUAXWWJRNIODRY-UHFFFAOYSA-N |
| MDL Number | MFCD13151910 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | CC(C1=NNC(C)=C1)=O |
| Synonyms | 1-(5-Methyl-1H-pyrazol-3-yl)ethanone,
17357-74-3,
3-Acetyl-5-methylpyrazole,
Ethanone, 1-(5-methyl-1H-pyrazol-3-yl)-,
SCHEMBL569002,
MFCD13151910,
ZINC26506532,
AKOS006318574,
AKOS022182452,
FCH2164377,
AJ-82473,
AK-70947,
AS-55147,
SC-51482,
AX8218987,
DB-019174,
CS-0061279,
FT-0721293,
ST24037448,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number