2,4-Hexadiyne


Chemical Name: 2,4-Hexadiyne
CAS Number: 2809-69-0
Product Number: AG003FVG(AGN-PC-0JMPNK)
Synonyms:
MDL No:
Molecular Formula: C6H6
Molecular Weight: 78.11184

Identification/Properties


Properties
BP:
129.5°C
Computed Properties
Molecular Weight:
78.114g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
78.047g/mol
Monoisotopic Mass:
78.047g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
118
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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