| CAS Number | 171672-99-4 |
| Catalog Number | AG00ABY7(AGN-PC-0KCDWD) |
| Chemical Name | 1,6-Dihydro-6-oxo-1-propyl-3-pyridazinecarboxylic acid |
| IUPAC Name | 6-oxo-1-propylpyridazine-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c1-2-5-10-7(11)4-3-6(9-10)8(12)13/h3-4H,2,5H2,1H3,(H,12,13) |
| InChI Key | DJHVQCITSVMNLU-UHFFFAOYSA-N |
| MDL Number | MFCD05263570 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | O=C(C(C=C1)=NN(CCC)C1=O)O |
| Synonyms | 6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxylic acid,
171672-99-4,
6-oxo-1-propylpyridazine-3-carboxylic acid,
AC1Q2XZC,
AC1M2L94,
CTK6E5070,
HMS1754F18,
ZINC2655605,
AKOS000135011,
MCULE-4932543889,
NE35223,
EN300-09334,
J-518975,
Z56969360,
CID2119245,
6-oxo-1-propyl-pyridazine-3-carboxylic Acid,
|
| Complexity | 294 |
| 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 | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number