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Home Carboxys 3-Methylthiophene-2-carboxylic acid

3-Methylthiophene-2-carboxylic acid

CAS No.:
23806-24-8
Catalog Number:
AG0033R4
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$60
- +
100g
98%
In Stock USA
United States
$182
- +
500g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG0033R4
Chemical Name:
3-Methylthiophene-2-carboxylic acid
CAS Number:
23806-24-8
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
MDL Number:
MFCD00005438
IUPAC Name:
3-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
IFLKEBSJTZGCJG-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1C
EC Number:
245-894-5
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides. Beilstein journal of organic chemistry 20070101
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties