Benzonitrile, 4-ethynyl-


Chemical Name: Benzonitrile, 4-ethynyl-
CAS Number: 3032-92-6
Product Number: AG002ZS2(AGN-PC-0LD1T1)
Synonyms:
MDL No:
Molecular Formula: C9H5N
Molecular Weight: 127.1427

Identification/Properties


Properties
MP:
156-160 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
127.146g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
127.042g/mol
Monoisotopic Mass:
127.042g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
191
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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