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Home Carboxys 1-Benzofuran-3-carboxylic acid

1-Benzofuran-3-carboxylic acid

CAS No.:
26537-68-8
Catalog Number:
AG002TLL
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG002TLL
Chemical Name:
1-Benzofuran-3-carboxylic acid
CAS Number:
26537-68-8
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
MDL Number:
MFCD01006722
IUPAC Name:
1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H6O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChI Key:
BENJFDPHDCGUAQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc2c1cccc2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.144g/mol
Monoisotopic Mass:
162.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and preliminary evaluation of the antimicrobial activity of selected 3-benzofurancarboxylic acid derivatives. Molecules (Basel, Switzerland) 20100706
Novel PdII-mediated cascade carboxylative annulation to construct benzo[b]furan-3-carboxylic acids. Organic letters 20050623
Properties