| CAS Number | 1155592-25-8 |
| Catalog Number | AG01A3PC(AGN-PC-0WOD2U) |
| Chemical Name | ethyl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate |
| IUPAC Name | ethyl 2-(4-formyl-3,5-dimethylpyrazol-1-yl)acetate |
| InChI | InChI=1S/C10H14N2O3/c1-4-15-10(14)5-12-8(3)9(6-13)7(2)11-12/h6H,4-5H2,1-3H3 |
| InChI Key | UWZMNYIYHNRFIO-UHFFFAOYSA-N |
| MDL Number | MFCD12103635 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.2298 |
| SMILES | CCOC(CN1C(C)=C(C=O)C(C)=N1)=O |
| Synonyms | ethyl 2-(4-formyl-3,5-dimethyl-1H-pyrazol-1-yl)acetate,
1155592-25-8,
ZINC36868060,
AKOS009838400,
NE48363,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.233g/mol |
| Monoisotopic Mass | 210.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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