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16419-78-6 | 2,4-Hexadiynedinitrile
CAS No: 16419-78-6 Catalog No: AG001UPP MDL No:
Product Description
Catalog Number:
AG001UPP
Chemical Name:
2,4-Hexadiynedinitrile
CAS Number:
16419-78-6
Molecular Formula:
C6N2
Molecular Weight:
100.0776
IUPAC Name:
hexa-2,4-diynedinitrile
InChI:
InChI=1S/C6N2/c7-5-3-1-2-4-6-8
InChI Key:
HEUVKASCJJGDBZ-UHFFFAOYSA-N
SMILES:
N#CC#CC#CC#N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.08g/mol
Monoisotopic Mass:
100.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| UV-induced growth of cyanopolyyne chains in cryogenic solids. | Physical chemistry chemical physics : PCCP 20111006 |
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