Cas no 114478-93-2 (4-ethoxycarbonylcyclohexane-1-carboxylate)
114478-93-2 structure
Product Name:4-ethoxycarbonylcyclohexane-1-carboxylate
CAS No:114478-93-2
MF:C10H15O4
MW:199.223703622818
CID:2612933
PubChem ID:19964201
Update Time:2025-04-21
4-ethoxycarbonylcyclohexane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-ethoxycarbonylcyclohexane-1-carboxylate
- DTXCID50552286
- DTXSID30601529
- 4-(Ethoxycarbonyl)cyclohexane-1-carboxylate
- 114478-93-2
- 1,4-Cyclohexanedicarboxylic acid, 1-ethyl ester
-
- Inchi： 1S/C10H16O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/p-1
- InChI Key： FAFFYFMLKGDSEQ-UHFFFAOYSA-M
- SMILES： O(CC)C(C1CCC(C(=O)[O-])CC1)=O
Computed Properties
- Exact Mass: 199.09703396Da
- Monoisotopic Mass: 199.09703396Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 1.8
- Topological Polar Surface Area: 66.4?2
4-ethoxycarbonylcyclohexane-1-carboxylate Related Literature
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Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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