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113589-39-2 | 2-Thiophenecarboxylic acid, 3-methoxy-5-phenyl-, methyl ester
CAS No: 113589-39-2 Catalog No: AG00092U MDL No:
Product Description
Catalog Number:
AG00092U
Chemical Name:
2-Thiophenecarboxylic acid, 3-methoxy-5-phenyl-, methyl ester
CAS Number:
113589-39-2
Molecular Formula:
C13H12O3S
Molecular Weight:
248.2976
IUPAC Name:
methyl 3-methoxy-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C13H12O3S/c1-15-10-8-11(9-6-4-3-5-7-9)17-12(10)13(14)16-2/h3-8H,1-2H3
InChI Key:
DRYRYBCXHSCXJG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1OC)c1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.296g/mol
Monoisotopic Mass:
248.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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