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Methyl 3-methylthiophene-2-carboxylate

CAS No.:
81452-54-2
Catalog Number:
AG003RT4
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$19
- +
5g
96%
In Stock USA
United States
$57
- +
10g
96%
In Stock USA
United States
$82
- +
25g
96%
In Stock USA
United States
$138
- +
Product Description
Catalog Number:
AG003RT4
Chemical Name:
Methyl 3-methylthiophene-2-carboxylate
CAS Number:
81452-54-2
Molecular Formula:
C7H8O2S
Molecular Weight:
156.2022
MDL Number:
MFCD00234332
IUPAC Name:
methyl 3-methylthiophene-2-carboxylate
InChI:
InChI=1S/C7H8O2S/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChI Key:
BRWROFVPMUPMJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1C
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.199g/mol
Monoisotopic Mass:
156.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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
Properties