| CAS Number | 867130-32-3 |
| Catalog Number | AG00J2IJ(AGN-PC-0WB5YQ) |
| Chemical Name | 2-(3,4-Dimethyl-6-oxopyridazin-1(6H)-yl)acetic acid |
| IUPAC Name | 2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetic acid |
| InChI | InChI=1S/C8H10N2O3/c1-5-3-7(11)10(4-8(12)13)9-6(5)2/h3H,4H2,1-2H3,(H,12,13) |
| InChI Key | AOJREGLGFIIAOD-UHFFFAOYSA-N |
| MDL Number | MFCD18447680 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | N1(CC(O)=O)C(=O)C=C(C(C)=N1)C |
| Synonyms | 867130-32-3,
(3,4-dimethyl-6-oxo-1(6H)-pyridazinyl)acetic acid,
2-(3,4-dimethyl-6-oxopyridazin-1(6H)-yl)acetic acid,
ZX-CM009766,
FCH898634,
MFCD18447680,
ZINC59270627,
AKOS006315859,
Y-7949,
F1967-2573,
|
| Complexity | 317 |
| 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 | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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