Benzofuran-2-carboxylic acid


Chemical Name: Benzofuran-2-carboxylic acid
CAS Number: 496-41-3
Product Number: AG00DDSQ(AGN-PC-0WACIE)
Synonyms:
MDL No:
Molecular Formula: C9H6O3
Molecular Weight: 162.1421

Identification/Properties


Properties
MP:
194 - 196 °C
BP:
312.5°C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5380 (estimate)
Computed Properties
Molecular Weight:
162.144g/mol
XLogP3:
2.4
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


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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