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Home Carboxys Benzofuran-2-carboxylic acid

Benzofuran-2-carboxylic acid

CAS No.:
496-41-3
Catalog Number:
AG00DDSQ
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$94
- +
100g
95%
In Stock USA
United States
$275
- +
500g
95%
In Stock USA
United States
$1063
- +
Product Description
Catalog Number:
AG00DDSQ
Chemical Name:
Benzofuran-2-carboxylic acid
CAS Number:
496-41-3
Molecular Formula:
C9H6O3
Molecular Weight:
162.1421
MDL Number:
MFCD00005848
IUPAC Name:
1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChI Key:
OFFSPAZVIVZPHU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)cccc2
EC Number:
207-818-9
UNII:
7Z6NMG947L
NSC Number:
6165
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:
2.4  
Literature
Title Journal
ATP-binding site of bacterial enzymes as a target for antibacterial drug design. Journal of medicinal chemistry 20110224
Identifying regulators for EAG1 channels with a novel electrophysiology and tryptophan fluorescence based screen. PloS one 20100101
A new benzofuranic acid from the leaves of Rhus alata. Natural product research 20080320
Synthesis and structural characterization of derivatives of 2- and 3-benzo[b]furan carboxylic acids with potential cytotoxic activity. Farmaco (Societa chimica italiana : 1989) 20050101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Synthesis and conformational analysis of a coumarinic acid-based cyclic prodrug of an opioid peptide with modified sensitivity to esterase-catalyzed bioconversion. The journal of peptide research : official journal of the American Peptide Society 20020401
Properties