Cas no 88472-60-0 (Tetradecanenitrile, 12-oxo-)
Tetradecanenitrile, 12-oxo- structure
Product Name:Tetradecanenitrile, 12-oxo-
CAS No:88472-60-0
MF:C14H25NO
MW:223.354404211044
CID:631372
PubChem ID:15584311
Update Time:2025-04-19
Tetradecanenitrile, 12-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanenitrile, 12-oxo-
- 12-oxotetradecanenitrile
- DTXSID80574971
- 88472-60-0
-
- Inchi： 1S/C14H25NO/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h2-12H2,1H3
- InChI Key： PXXVOJRASHWKPU-UHFFFAOYSA-N
- SMILES： O=C(CC)CCCCCCCCCCC#N
Computed Properties
- Exact Mass: 223.193614421g/mol
- Monoisotopic Mass: 223.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 214
- 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: 4
- Topological Polar Surface Area: 40.9?2
Tetradecanenitrile, 12-oxo- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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