Cas no 1194714-96-9 (Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester)
1194714-96-9 structure
Product Name:Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester
CAS No:1194714-96-9
MF:C11H18O3
MW:198.258823871613
CID:2126116
Update Time:2023-08-04
Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- ethyl 2,3-dimethyl-4-oxocyclohexanecarboxylate
- Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester
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- Inchi: 1S/C11H18O3/c1-4-14-11(13)9-5-6-10(12)8(3)7(9)2/h7-9H,4-6H2,1-3H3
- InChI Key: ZBCPQKLEQXIPIA-UHFFFAOYSA-N
- SMILES: O=C1CCC(C(=O)OCC)C(C)C1C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 235
- Topological Polar Surface Area: 43.4
Cyclohexanecarboxylic acid, 2,3-dimethyl-4-oxo-, ethyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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