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Home Carboxys 5-Ethoxy-2-phenylbenzofuran-3-carboxylic acid

5-Ethoxy-2-phenylbenzofuran-3-carboxylic acid

CAS No.:
300674-08-2
Catalog Number:
AG00BETI
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00BETI
Chemical Name:
5-Ethoxy-2-phenylbenzofuran-3-carboxylic acid
CAS Number:
300674-08-2
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
MDL Number:
MFCD01847520
IUPAC Name:
5-ethoxy-2-phenyl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C17H14O4/c1-2-20-12-8-9-14-13(10-12)15(17(18)19)16(21-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19)
InChI Key:
KVFWYSGPOFMEIA-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(C(=O)O)c(o2)c1ccccc1
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties