Cas no 58019-68-4 (Cyclohexanecarboxylic acid, 2-methyl-6-oxo-, ethyl ester)
58019-68-4 structure
Product Name:Cyclohexanecarboxylic acid, 2-methyl-6-oxo-, ethyl ester
CAS No:58019-68-4
MF:C10H16O3
MW:184.232243537903
CID:1608085
PubChem ID:13624183
Update Time:2025-04-21
Cyclohexanecarboxylic acid, 2-methyl-6-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2-methyl-6-oxo-, ethyl ester
- ethyl 2-methyl-6-oxocyclohexane-1-carboxylate
- DTXSID20545266
- 58019-68-4
- ethyl 2-methyl-6-oxocyclohexanecarboxylate
- SCHEMBL5796691
- ethyl2-methyl-6-oxocyclohexanecarboxylate
-
- Inchi： 1S/C10H16O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h7,9H,3-6H2,1-2H3
- InChI Key： NTIIYMFJLLQONW-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C)C1C(=O)OCC
Computed Properties
- Exact Mass: 184.10998
- Monoisotopic Mass: 184.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclohexanecarboxylic acid, 2-methyl-6-oxo-, ethyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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