Cas no 88472-62-2 (Hexadecanenitrile, 12-oxo-)
Hexadecanenitrile, 12-oxo- structure
Product Name:Hexadecanenitrile, 12-oxo-
CAS No:88472-62-2
MF:C16H29NO
MW:251.407564878464
CID:631370
PubChem ID:15584312
Update Time:2025-04-19
Hexadecanenitrile, 12-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanenitrile, 12-oxo-
- 12-oxohexadecanenitrile
- DTXSID40574972
- 88472-62-2
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- Inchi： 1S/C16H29NO/c1-2-3-13-16(18)14-11-9-7-5-4-6-8-10-12-15-17/h2-14H2,1H3
- InChI Key： RSYBTXMDZWFBKI-UHFFFAOYSA-N
- SMILES： O=C(CCCC)CCCCCCCCCCC#N
Computed Properties
- Exact Mass: 251.224914549g/mol
- Monoisotopic Mass: 251.224914549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 239
- 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: 4.9
- Topological Polar Surface Area: 40.9?2
Hexadecanenitrile, 12-oxo- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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