| CAS Number | 106838-00-0 |
| Catalog Number | AG019KXG |
| Chemical Name | 2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid |
| IUPAC Name | 2,5,6-trimethyl-3-oxopyridazine-4-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c1-4-5(2)9-10(3)7(11)6(4)8(12)13/h1-3H3,(H,12,13) |
| InChI Key | RHIRDMLVZNVVAP-UHFFFAOYSA-N |
| MDL Number | MFCD06447046 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC1C(C)=C(C(O)=O)C(=O)N(C)N=1 |
| Synonyms | 2,5,6-trimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid,
106838-00-0,
AC1Q407F,
CTK6C4742,
ZINC12505856,
AKOS022225609,
MCULE-9495452231,
NE19620,
EN300-28894,
Z235362709,
|
| Complexity | 341 |
| 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 | 1 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number