| CAS Number | 1177283-64-5 |
| Catalog Number | AG008X47(AGN-PC-0WB3U6) |
| Chemical Name | 2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanone |
| IUPAC Name | 2-methoxy-1-(2-methylpyrazol-3-yl)ethanone |
| InChI | InChI=1S/C7H10N2O2/c1-9-6(3-4-8-9)7(10)5-11-2/h3-4H,5H2,1-2H3 |
| InChI Key | MESUCFVONCVLJF-UHFFFAOYSA-N |
| MDL Number | MFCD09864442 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | C1(=CC=NN1C)C(COC)=O |
| Synonyms | 2-Methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanone,
1177283-64-5,
MFCD09864442,
ZINC19091505,
AKOS013153827,
MCULE-6341143552,
AJ-71623,
Y-5794,
2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-one,
2-Methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanone, AldrichCPR,
2-Methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethanone, 95% - 1G 1g,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number