Cas no 7143-12-6 (Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo-)
7143-12-6 structure
Product Name:Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo-
Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo-
- 1.3-Dimethyl-1-cyan-cyclohexanon-(5); 5-Oxo-1.3-dimethyl-cyclohexan-carbonsaeure-(1)-nitril; KST-1A9774; AC1L60IW; AC1Q4QYX; 1,3-dimethyl-5-oxocyclohexanecarbonitrile; AR-1B7012; CTK2I0836; 1,3-Dimethyl-5-oxo-cyclohexancarbonitril; NSC42527; 1,3-dimethyl-5-oxo-cyclohexanecarbonitrile;
- 7143-12-6
- NSC42527
- NSC-42527
- DTXSID80285631
-
- Inchi： 1S/C9H13NO/c1-7-3-8(11)5-9(2,4-7)6-10/h7H,3-5H2,1-2H3
- InChI Key： OQNCPTDMDHJIPH-UHFFFAOYSA-N
- SMILES： O=C1CC(C)CC(C#N)(C)C1
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 225
- 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: 0.9
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 1
- Boiling Point: 268.6°Cat760mmHg
- Flash Point: 116.3°C
- Refractive Index: 1.465
- PSA: 40.86
- LogP: 1.90538
Cyclohexanecarbonitrile, 1,3-dimethyl-5-oxo- Related Literature
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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
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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