2-(1-benzofuran-3-yl)acetic acid


Chemical Name: 2-(1-benzofuran-3-yl)acetic acid
CAS Number: 64175-51-5
Product Number: AG00ECXC(AGN-PC-0KKP6N)
Synonyms:
MDL No:
Molecular Formula: C10H8O3
Molecular Weight: 176.1687

Identification/Properties


Properties
MP:
90 °C
BP:
331.1°C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.171g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
176.047g/mol
Monoisotopic Mass:
176.047g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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

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NMR Spectrum


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Chemical Structure



2-(Benzofuran-3-yl)acetic acid, a versatile compound in chemical synthesis, is commonly employed as a building block in the development of various pharmaceuticals, agrochemicals, and advanced materials. With its unique structural features, this compound serves as a key intermediate in the synthesis of biologically active molecules, including anti-inflammatory agents, analgesics, and antiviral drugs. Additionally, it exhibits significant potential for use in the creation of novel organic compounds with diverse applications in medicinal chemistry and material science. Its strategic presence in organic synthesis highlights its importance as a valuable tool for researchers and chemists seeking to innovate and advance their chemical design strategies.