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Home Carboxys 3-Methylbenzofuran-2-carboxylic acid

3-Methylbenzofuran-2-carboxylic acid

CAS No.:
24673-56-1
Catalog Number:
AG002P0L
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG002P0L
Chemical Name:
3-Methylbenzofuran-2-carboxylic acid
CAS Number:
24673-56-1
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00060511
IUPAC Name:
3-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
YMZTUCZCQMQFMK-UHFFFAOYSA-N
SMILES:
OC(=O)c1oc2c(c1C)cccc2
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Stereoselective synthesis and antimicrobial activity of benzofuran-based (1E)-1-(piperidin-1-yl)-N2-arylamidrazones. European journal of medicinal chemistry 20091201
Structure-activity relationship study on alpha1 adrenergic receptor antagonists from beer. Bioorganic & medicinal chemistry letters 20091015
Properties