Cas no 1037313-38-4 (Ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate)
1037313-38-4 structure
Product Name:Ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate
CAS No:1037313-38-4
MF:C12H18O4
MW:226.268924236298
CID:2108743
Update Time:2023-08-03
Ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
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- ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate
- Ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate
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- Inchi： 1S/C12H18O4/c1-3-8-5-6-10(13)9(7-8)11(14)12(15)16-4-2/h8-9H,3-7H2,1-2H3
- InChI Key： FITVYWUXBGOXOI-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC)CC1C(C(=O)OCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 295
- Topological Polar Surface Area: 60.4
Ethyl 2-(5-ethyl-2-oxocyclohexyl)-2-oxoacetate Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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