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HEXANENITRILE

CAS No.:
628-73-9
Catalog Number:
AG003QWU
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
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Product Description
Catalog Number:
AG003QWU
Chemical Name:
HEXANENITRILE
CAS Number:
628-73-9
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD00001979
IUPAC Name:
hexanenitrile
InChI:
InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
InChI Key:
AILKHAQXUAOOFU-UHFFFAOYSA-N
SMILES:
CCCCCC#N
UNII:
S1XKP5498P
NSC Number:
1076
Properties
Complexity:
67.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
5-Pentyl-1H-tetra-zole. Acta crystallographica. Section E, Structure reports online 20110101
Solvent-dependent cage dynamics of small nonpolar radicals: lessons from the photodissociation and geminate recombination of alkylcobalamins. The journal of physical chemistry. A 20090730
Nitriliruptor alkaliphilus gen. nov., sp. nov., a deep-lineage haloalkaliphilic actinobacterium from soda lakes capable of growth on aliphatic nitriles, and proposal of Nitriliruptoraceae fam. nov. and Nitriliruptorales ord. nov. International journal of systematic and evolutionary microbiology 20090201
Poly(diiododiacetylene): preparation, isolation, and full characterization of a very simple poly(diacetylene). Journal of the American Chemical Society 20080618
Electroantennogram responses of the three migratory forms of the damson-hop aphid, Phorodon humuli, to aphid pheromones and plant volatiles. Journal of insect physiology 20041101
Properties