1,3-Isobenzofurandione, 5-(phenylethynyl)-


Chemical Name: 1,3-Isobenzofurandione, 5-(phenylethynyl)-
CAS Number: 119389-05-8
Product Number: AG000IO0(AGN-PC-0NF47U)
Synonyms:
MDL No:
Molecular Formula: C16H8O3
Molecular Weight: 248.2329

Identification/Properties


Properties
MP:
152 °C
BP:
466.881 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
248.237g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
248.047g/mol
Monoisotopic Mass:
248.047g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
447
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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