| CAS Number | 1108712-51-1 |
| Catalog Number | AG0094V7(AGN-PC-0WABJU) |
| Chemical Name | 5-methylpyridazine-4-carboxylic acid |
| IUPAC Name | 5-methylpyridazine-4-carboxylic acid |
| InChI | InChI=1S/C6H6N2O2/c1-4-2-7-8-3-5(4)6(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | JGJUEUVYZDSDES-UHFFFAOYSA-N |
| MDL Number | MFCD07699510 |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.1240 |
| SMILES | CC1=C(C(O)=O)C=NN=C1 |
| Synonyms | 1108712-51-1,
5-methylpyridazine-4-carboxylic acid,
5-METHYL-PYRIDAZINE-4-CARBOXYLIC ACID,
4-Pyridazinecarboxylic acid, 5-methyl-,
SCHEMBL353823,
5-Methyl-pyridazine-4-car...,
JGJUEUVYZDSDES-UHFFFAOYSA-N,
KS-000003PP,
MFCD12025509,
ZINC76914606,
AKOS022718856,
FCH1181725,
PB17923,
AK165394,
AS-33701,
ST1130911,
AM20080055,
CS-0050427,
Q-3937,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.126g/mol |
| Monoisotopic Mass | 138.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number