Cas no 4505-38-8 (2-Cyclohexene-1,4-dione)
2-Cyclohexene-1,4-dione structure
Product Name:2-Cyclohexene-1,4-dione
2-Cyclohexene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexene-1,4-dione
- cyclohex-2-ene-1,4-dione
- GPMMYQITJVUZAT-UHFFFAOYSA-N
- AKOS006278156
- Cyclohex-2-en-1,4-dion
- DTXSID40196370
- 1,4-Cyclohex-2-enedione
- 2-Cyclohexene-1,4-dione #
- SCHEMBL451440
- 4505-38-8
- dihydro-quinone
-
- Inchi： 1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-2H,3-4H2
- InChI Key： GPMMYQITJVUZAT-UHFFFAOYSA-N
- SMILES： O=C1C=CC(CC1)=O
Computed Properties
- Exact Mass: 110.03678
- Monoisotopic Mass: 110.036779430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 138
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2-Cyclohexene-1,4-dione Related Literature
-
Dexin Yang,Tao Jiang,Tianbin Wu,Peng Zhang,Hongling Han,Buxing Han Catal. Sci. Technol. 2016 6 193
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István Szalai,Krisztina Kurin-Cs?rgei,Miklós Orbán Phys. Chem. Chem. Phys. 2002 4 1271
-
Xin-Hui Tian,Li-Li Hong,Wei-Hua Jiao,Hou-Wen Lin Nat. Prod. Rep. 2023 40 718
-
Roberto Consonni,Laura Ruth Cagliani RSC Adv. 2015 5 59696
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Xiaoying Liu,Robert J. Madix,Cynthia M. Friend Chem. Soc. Rev. 2008 37 2243
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