Cas no 48123-41-7 (4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile)
48123-41-7 structure
Product Name:4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile
CAS No:48123-41-7
MF:C9H11NO2
MW:165.189142465591
CID:2828809
PubChem ID:13141367
Update Time:2025-04-21
4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 48123-41-7
- 4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile
- DTXSID00521280
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- Inchi： 1S/C9H11NO2/c1-9(2)3-7(11)6(5-10)8(12)4-9/h6H,3-4H2,1-2H3
- InChI Key： MMJOUOFCAIGZMD-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)C(CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 165.078978594Da
- Monoisotopic Mass: 165.078978594Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 262
- 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: 0.8
- Topological Polar Surface Area: 57.9?2
4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
48123-41-7 (4,4-Dimethyl-2,6-dioxocyclohexane-1-carbonitrile) Related Products
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