Home Carboxys 5-Ethoxyfuran-2-carboxylic acid

5-Ethoxyfuran-2-carboxylic acid

CAS No.:
115102-47-1
Catalog Number:
AG000FVY
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG000FVY
Chemical Name:
5-Ethoxyfuran-2-carboxylic acid
CAS Number:
115102-47-1
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
MDL Number:
MFCD03130315
IUPAC Name:
5-ethoxyfuran-2-carboxylic acid
InChI:
InChI=1S/C7H8O4/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
SALAWNGVJRQXAU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(o1)C(=O)O
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties