Cas no 106593-43-5 (2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-)
106593-43-5 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-
CAS No:106593-43-5
MF:C13H10O2
MW:198.217303752899
CID:1175912
PubChem ID:607705
Update Time:2025-04-20
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-
- 2-methyl-5-phenylcyclohexa-2,5-diene-1,4-dione
- 2-Methyl-5-phenylbenzo-1,4-quinone #
- 106593-43-5
- DTXSID30345870
- UZFTUCAAHYREBS-UHFFFAOYSA-N
- SCHEMBL25834271
- 2-Methyl-5-phenyl-1,4,cyclohediene-1,4-dione
-
- Inchi: 1S/C13H10O2/c1-9-7-13(15)11(8-12(9)14)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key: UZFTUCAAHYREBS-UHFFFAOYSA-N
- SMILES: O=C1C=C(C)C(C=C1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 198.0681
- Monoisotopic Mass: 198.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 355
- 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: 2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl- Related Literature
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
106593-43-5 (2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-phenyl-) Related Products
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