Cas no 343864-91-5 (6-oxo-1H-pyridazine-4,5-dicarbonitrile)
343864-91-5 structure
Product Name:6-oxo-1H-pyridazine-4,5-dicarbonitrile
CAS No:343864-91-5
MF:C6H2N4O
MW:146.106279850006
CID:2759917
PubChem ID:12705216
Update Time:2025-04-21
6-oxo-1H-pyridazine-4,5-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 6-oxo-1H-pyridazine-4,5-dicarbonitrile
- 1,6-Dihydro-6-oxo-5-pyridazinedicarbonitrile;
- SCHEMBL2470705
- 343864-91-5
- 1,6-Dihydro-6-oxo-5-pyridazinedicarbonitrile
- 6-Oxo-1,6-dihydropyridazine-4,5-dicarbonitrile
- DB-082485
- DTXSID50507458
-
- Inchi： 1S/C6H2N4O/c7-1-4-3-9-10-6(11)5(4)2-8/h3H,(H,10,11)
- InChI Key： VCLUOFBFTWUWIJ-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C#N)C=NN1
Computed Properties
- Exact Mass: 146.02300
- Monoisotopic Mass: 146.02286070Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 359
- 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: -0.9
- Topological Polar Surface Area: 89?2
Experimental Properties
- PSA: 93.33000
- LogP: -0.48674
6-oxo-1H-pyridazine-4,5-dicarbonitrile Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
343864-91-5 (6-oxo-1H-pyridazine-4,5-dicarbonitrile) Related Products
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