1,1'-Biphenyl, 4-ethynyl-


Chemical Name: 1,1'-Biphenyl, 4-ethynyl-
CAS Number: 29079-00-3
Product Number: AG002X90(AGN-PC-0JKNRQ)
Synonyms:
MDL No:
Molecular Formula: C14H10
Molecular Weight: 178.2292

Identification/Properties


Computed Properties
Molecular Weight:
178.234g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
2
Exact Mass:
178.078g/mol
Monoisotopic Mass:
178.078g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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