Cas no 753003-11-1 (1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-(9CI))
753003-11-1 structure
Product Name:1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-(9CI)
CAS No:753003-11-1
MF:C8H4N4
MW:156.144160270691
CID:561762
Update Time:2023-03-29
1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-
- 1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-(9CI)
- 1H-Imidazole-4,5-dicarbonitrile, 2-ethynyl-1-methyl-
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- Inchi: 1S/C8H4N4/c1-3-8-11-6(4-9)7(5-10)12(8)2/h1H,2H3
- InChI Key: FQDGYBODOQFYMK-UHFFFAOYSA-N
- SMILES: C1(C#C)N(C)C(C#N)=C(C#N)N=1
Computed Properties
- Exact Mass: 156.044
- Monoisotopic Mass: 156.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 319
- 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
- Topological Polar Surface Area: 65.4A^2
1H-Imidazole-4,5-dicarbonitrile,2-ethynyl-1-methyl-(9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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