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Home Carboxys 2-Methyl-1-benzofuran-5-carboxylic acid

2-Methyl-1-benzofuran-5-carboxylic acid

CAS No.:
219763-06-1
Catalog Number:
AG00BDM5
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00BDM5
Chemical Name:
2-Methyl-1-benzofuran-5-carboxylic acid
CAS Number:
219763-06-1
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD06589810
IUPAC Name:
2-methyl-1-benzofuran-5-carboxylic acid
InChI:
InChI=1S/C10H8O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-5H,1H3,(H,11,12)
InChI Key:
JTNYNAOEJXGMCQ-UHFFFAOYSA-N
SMILES:
Cc1oc2c(c1)cc(cc2)C(=O)O
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:
2.3  
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