2-Furancarboxylic acid, 3-phenyl-


Chemical Name: 2-Furancarboxylic acid, 3-phenyl-
CAS Number: 169772-63-8
Product Number: AG00AQJP(AGN-PC-0MJUNF)
Synonyms:
MDL No:
Molecular Formula: C11H8O3
Molecular Weight: 188.1794

Identification/Properties


Computed Properties
Molecular Weight:
188.182g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
188.047g/mol
Monoisotopic Mass:
188.047g/mol
Topological Polar Surface Area:
50.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
209
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Phenylfuran-2-carboxylic acid is a versatile compound commonly used in chemical synthesis. It serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique molecular structure and reactivity. When incorporated into synthetic pathways, 3-Phenylfuran-2-carboxylic acid can function as a key intermediate, facilitating the formation of complex organic molecules through strategic transformations such as functional group manipulations, cyclizations, and heterocyclic rearrangements. Its presence in synthetic routes enables chemists to access target compounds with enhanced efficiency and precision, making it an indispensable tool in the development of novel materials and bioactive substances. Furthermore, the distinctive aromaticity and conjugation within the 3-Phenylfuran-2-carboxylic acid scaffold offer opportunities for the design and discovery of potentially valuable molecular entities with diverse applications in the fields of drug discovery, material science, and chemical technology.