Cas no 129104-41-2 (Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester)
129104-41-2 structure
Product Name:Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester
CAS No:129104-41-2
MF:C11H18O3
MW:198.258823871613
CID:2769667
PubChem ID:11052594
Update Time:2025-04-21
Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 129104-41-2
- DTXCID20404248
- Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester
- DTXSID30453429
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- Inchi： 1S/C11H18O3/c1-2-14-11(13)9-6-4-3-5-7-10(12)8-9/h9H,2-8H2,1H3
- InChI Key： UTIKDLPBZGUFSE-UHFFFAOYSA-N
- SMILES： O(CC)C(C1CC(CCCCC1)=O)=O
Computed Properties
- Exact Mass: 198.125594432Da
- Monoisotopic Mass: 198.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 43.4?2
Cyclooctanecarboxylic acid, 3-oxo-, ethyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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