Cas no 30770-49-1 (1,3,5-Cyclohexanetrione)
1,3,5-Cyclohexanetrione structure
Product Name:1,3,5-Cyclohexanetrione
CAS No:30770-49-1
MF:C6H6O3
MW:126.110042095184
CID:316653
PubChem ID:18625100
Update Time:2025-04-19
1,3,5-Cyclohexanetrione Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Cyclohexanetrione
- cyclohexane-1,3,5-trione
- 30770-49-1
- DTXSID60595245
- SCHEMBL232122
-
- Inchi： 1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3H2
- InChI Key： GKSCYYCYSPXQFY-UHFFFAOYSA-N
- SMILES： O=C1CC(CC(C1)=O)=O
Computed Properties
- Exact Mass: 126.03168
- Monoisotopic Mass: 126.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 130
- 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: -0.2
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
1,3,5-Cyclohexanetrione Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
30770-49-1 (1,3,5-Cyclohexanetrione) Related Products
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