5-Benzofurancarboxylic acid


Chemical Name: 5-Benzofurancarboxylic acid
CAS Number: 90721-27-0
Product Number: AG003DZ0(AGN-PC-0JTHWK)
Synonyms:
MDL No: MFCD01006742
Molecular Formula: C9H6O3
Molecular Weight: 162.1421

Identification/Properties


Properties
MP:
189-190 °C
BP:
325.6 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
162.144g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
162.032g/mol
Monoisotopic Mass:
162.032g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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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