| CAS Number | 1674399-54-2 |
| Catalog Number | AG01DTN2 |
| Chemical Name | 3-Pyridazineacetic acid, 1,6-dihydro-6-oxo,ethyl ester |
| IUPAC Name | ethyl 2-(6-oxo-1H-pyridazin-3-yl)acetate |
| InChI | InChI=1S/C8H10N2O3/c1-2-13-8(12)5-6-3-4-7(11)10-9-6/h3-4H,2,5H2,1H3,(H,10,11) |
| InChI Key | OFNRUSMXMMASRZ-UHFFFAOYSA-N |
| MDL Number | MFCD31801943 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | O=C(OCC)CC(C=C1)=NNC1=O |
| Synonyms | 3-PYridazineacetic acid, 1,6-dihydro-6-oxo,ethyl ester,
1674399-54-2,
|
| Complexity | 281 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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