| CAS Number | 349134-56-1 |
| Catalog Number | AG019MQL(AGN-PC-0WO6M2) |
| Chemical Name | 1-(2-hydroxyethyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(2-hydroxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChI | InChI=1S/C7H10N2O4/c10-4-3-9-6(11)2-1-5(8-9)7(12)13/h10H,1-4H2,(H,12,13) |
| InChI Key | PLKGUAYIPRNQCL-UHFFFAOYSA-N |
| MDL Number | MFCD09050274 |
| Molecular Formula | C7H10N2O4 |
| Molecular Weight | 186.1653 |
| SMILES | OCCN1C(=O)CCC(C(O)=O)=N1 |
| Synonyms | 1-(2-hydroxyethyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,
349134-56-1,
AC1Q7D23,
CTK8A5042,
ZINC22148730,
AKOS000134150,
MCULE-8719242662,
NE23290,
EN300-36965,
AB00996609-01,
Z381357598,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.167g/mol |
| Monoisotopic Mass | 186.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
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Certificate of Analysis
Lot Number