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13042-02-9 | 2-Hexenedinitrile
CAS No: 13042-02-9 Catalog No: AG000UFD MDL No:
Product Description
Catalog Number:
AG000UFD
Chemical Name:
2-Hexenedinitrile
CAS Number:
13042-02-9
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
hex-2-enedinitrile
InChI:
InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2
InChI Key:
ZQOHAQBXINVHHC-UHFFFAOYSA-N
SMILES:
N#CCCC=CC#N
EC Number:
235-914-0
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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