Benzene, 1-ethynyl-2-methyl-


Chemical Name: Benzene, 1-ethynyl-2-methyl-
CAS Number: 766-47-2
Product Number: AG003HQ8(AGN-PC-0CIQ3H)
Synonyms:
MDL No:
Molecular Formula: C9H8
Molecular Weight: 116.15982

Identification/Properties


Properties
BP:
50-60 °C30 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5470(lit.)
Computed Properties
Molecular Weight:
116.163g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
116.063g/mol
Monoisotopic Mass:
116.063g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
126
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

Safety Information


NMR Spectrum


Other Analytical Data


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