Cas no 78617-27-3 (3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)-)
78617-27-3 structure
Product Name:3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)-
CAS No:78617-27-3
MF:C10H12O2
MW:164.201083183289
CID:553383
PubChem ID:12698112
Update Time:2025-04-19
3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)-
- 3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)-(9CI)
- 78617-27-3
- 3,5-Cyclohexadiene-1,2-dione, 3-methyl-6-(1-methylethyl)-
-
- Inchi： 1S/C10H12O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6H,1-3H3
- InChI Key： FMQRVWZCQUIQND-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)=CC=C1C(C)C)=O
Computed Properties
- Exact Mass: 164.083729621g/mol
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 293
- 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: 1.9
- Topological Polar Surface Area: 34.1?2
3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
78617-27-3 (3,5-Cyclohexadiene-1,2-dione,3-methyl-6-(1-methylethyl)-) Related Products
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