2-butyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid - CAS 1708080-93-6
Catalog: |
BB012672 |
Product Name: |
2-butyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid |
CAS: |
1708080-93-6 |
Synonyms: |
2-butyl-3-oxo-4-pyridazinecarboxylic acid; 2-butyl-3-oxopyridazine-4-carboxylic acid |
IUPAC Name: | 2-butyl-3-oxopyridazine-4-carboxylic acid |
Description: | 2-butyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid (CAS# 1708080-93-6 ) is a useful research chemical. |
Molecular Weight: | 196.206 |
Molecular Formula: | C9H12N2O3 |
Canonical SMILES: | CCCCN1C(=O)C(=CC=N1)C(=O)O |
InChI: | InChI=1S/C9H12N2O3/c1-2-3-6-11-8(12)7(9(13)14)4-5-10-11/h4-5H,2-3,6H2,1H3,(H,13,14) |
InChI Key: | LYKRXVRMMMTXBT-UHFFFAOYSA-N |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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