Cas no 183437-05-0 (Hexanenitrile,2-acetyl-)
Hexanenitrile,2-acetyl- structure
Product Name:Hexanenitrile,2-acetyl-
CAS No:183437-05-0
MF:C8H13NO
MW:139.194922208786
CID:114099
PubChem ID:20137671
Update Time:2025-04-18
Hexanenitrile,2-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanenitrile,2-acetyl-
- Hexanenitrile, 2-acetyl- (9CI)
- SCHEMBL10627769
- 183437-05-0
- Hexanenitrile,2-acetyl-(9ci)
- 2-acetylhexanenitrile
-
- Inchi： 1S/C8H13NO/c1-3-4-5-8(6-9)7(2)10/h8H,3-5H2,1-2H3
- InChI Key： YTKZVUDAJFOTJE-UHFFFAOYSA-N
- SMILES： O=C(C)C(C#N)CCCC
Computed Properties
- Exact Mass: 139.09979
- Monoisotopic Mass: 139.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 154
- 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: 1.8
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Hexanenitrile,2-acetyl- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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