5,6-Dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile - CAS 40380-36-7
Catalog: |
BB024475 |
Product Name: |
5,6-Dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile |
CAS: |
40380-36-7 |
Synonyms: |
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile; 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile |
IUPAC Name: | 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile |
Description: | 5,6-Dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile (CAS# 40380-36-7) is a useful research chemical. |
Molecular Weight: | 149.15 |
Molecular Formula: | C7H7N3O |
Canonical SMILES: | CC1=C(C(=O)NN=C1C)C#N |
InChI: | InChI=1S/C7H7N3O/c1-4-5(2)9-10-7(11)6(4)3-8/h1-2H3,(H,10,11) |
InChI Key: | WNSUWBPFLAQCMF-UHFFFAOYSA-N |
Density: | 1.26 g/cm3 |
LogP: | 0.25838 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.058911855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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