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1,4-Dicyanobutane

CAS No.:
111-69-3
Catalog Number:
AG0032MY
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
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Product Description
Catalog Number:
AG0032MY
Chemical Name:
1,4-Dicyanobutane
CAS Number:
111-69-3
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
MDL Number:
MFCD00001975
IUPAC Name:
hexanedinitrile
InChI:
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
InChI Key:
BTGRAWJCKBQKAO-UHFFFAOYSA-N
SMILES:
N#CCCCCC#N
UNII:
SYT33B891I
NSC Number:
7617
RTECS Number:
AV2625000
UN Number:
2205
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
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Properties