| CAS Number | 1516430-94-6 |
| Catalog Number | AG01AFCI(AGN-PC-0WOU17) |
| Chemical Name | methyl 3-(1-methyl-1H-pyrazol-4-yl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(1-methylpyrazol-4-yl)-3-oxopropanoate |
| InChI | InChI=1S/C8H10N2O3/c1-10-5-6(4-9-10)7(11)3-8(12)13-2/h4-5H,3H2,1-2H3 |
| InChI Key | YBDMZHSJXJUCIQ-UHFFFAOYSA-N |
| MDL Number | MFCD22719775 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | COC(CC(C1=CN(C)N=C1)=O)=O |
| Synonyms | methyl 3-(1-methyl-1H-pyrazol-4-yl)-3-oxopropanoate,
1516430-94-6,
ZINC75085995,
AKOS018236733,
NE17017,
Z1881599209,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number