Pyrazine, ethynyl-


Chemical Name: Pyrazine, ethynyl-
CAS Number: 153800-11-4
Product Number: AG00ADE6(AGN-PC-00Q1B8)
Synonyms:
MDL No:
Molecular Formula: C6H4N2
Molecular Weight: 104.1094

Identification/Properties


Computed Properties
Molecular Weight:
104.112g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
104.037g/mol
Monoisotopic Mass:
104.037g/mol
Topological Polar Surface Area:
25.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
111
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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