5-(2-phenylethynyl)furan-2-carboxylic acid


Chemical Name: 5-(2-phenylethynyl)furan-2-carboxylic acid
CAS Number: 130423-83-5
Product Number: AG000UET(AGN-PC-0KK8BB)
Synonyms:
MDL No:
Molecular Formula: C13H8O3
Molecular Weight: 212.2008

Identification/Properties


Computed Properties
Molecular Weight:
212.204g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
212.047g/mol
Monoisotopic Mass:
212.047g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
317
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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