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181063-59-2 | 2-Thiophenecarboxylic acid, 3-methoxy-5-methyl-, methyl ester
CAS No: 181063-59-2 Catalog No: AG0022NJ MDL No:MFCD17012772
Product Description
Catalog Number:
AG0022NJ
Chemical Name:
2-Thiophenecarboxylic acid, 3-methoxy-5-methyl-, methyl ester
CAS Number:
181063-59-2
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD17012772
IUPAC Name:
methyl 3-methoxy-5-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H10O3S/c1-5-4-6(10-2)7(12-5)8(9)11-3/h4H,1-3H3
InChI Key:
KDYOUEBKRYTCLS-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1OC)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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