Cas no 173779-58-3 (1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile)
173779-58-3 structure
Product Name:1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile
CAS No:173779-58-3
MF:C7H4N4O
MW:160.132860183716
CID:1107713
PubChem ID:10920806
Update Time:2025-04-20
1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile
- 173779-58-3
- 3-Methyl-6-oxo-1,6-dihydropyridazine-4,5-dicarbonitrile
-
- Inchi： 1S/C7H4N4O/c1-4-5(2-8)6(3-9)7(12)11-10-4/h1H3,(H,11,12)
- InChI Key： GFZNTLZMTMSECR-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C#N)C(C)=NN1
Computed Properties
- Exact Mass: 160.03851076g/mol
- Monoisotopic Mass: 160.03851076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 398
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 89?2
1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
173779-58-3 (1,6-dihydro-3-methyl-6-oxo-4,5-Pyridazinedicarbonitrile) Related Products
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