Cas no 100054-48-6 (Cyclooctanepropanenitrile, 2-oxo-)
100054-48-6 structure
Product Name:Cyclooctanepropanenitrile, 2-oxo-
CAS No:100054-48-6
MF:C11H17NO
MW:179.258783102036
CID:1124302
PubChem ID:14691902
Update Time:2025-04-20
Cyclooctanepropanenitrile, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclooctanepropanenitrile, 2-oxo-
- 3-(2-oxocyclooctyl)propanenitrile
- DTXSID30563052
- 100054-48-6
-
- Inchi： 1S/C11H17NO/c12-9-5-7-10-6-3-1-2-4-8-11(10)13/h10H,1-8H2
- InChI Key： HOGLAHNCLICYLM-UHFFFAOYSA-N
- SMILES： O=C1CCCCCCC1CCC#N
Computed Properties
- Exact Mass: 179.13111
- Monoisotopic Mass: 179.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 2.1
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
- LogP: 2.82968
Cyclooctanepropanenitrile, 2-oxo- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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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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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
100054-48-6 (Cyclooctanepropanenitrile, 2-oxo-) Related Products
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