Cas no 6641-42-5 ( )
structure
Product Name:
CAS No:6641-42-5
MF:C10H12N2
MW:160.215682029724
CID:963948
PubChem ID:238487
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- bicyclo[2.2.2]octane-2,3-dicarbonitrile
- NSC-47608
- 6303-65-7
- DTXSID90978946
- NSC47608
- NSC42842
- NSC-42842
- 6641-42-5
- Bicyclo[2.2.2]octane-2,3-dicarbonitrile,trans-
- DS-007267
-
-
- Inchi： 1S/C10H12N2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h7-10H,1-4H2
- InChI Key： KQVJLZRILSXTIY-UHFFFAOYSA-N
- SMILES： N#CC1C(C#N)C2CCC1CC2
Computed Properties
- Exact Mass: 160.100048391g/mol
- Monoisotopic Mass: 160.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 47.6?2
Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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