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181478-27-3 | 2-Thiophenecarboxylic acid, 3-(acetylamino)-5-phenyl-, ethyl ester
CAS No: 181478-27-3 Catalog No: AG0022WJ MDL No:
Product Description
Catalog Number:
AG0022WJ
Chemical Name:
2-Thiophenecarboxylic acid, 3-(acetylamino)-5-phenyl-, ethyl ester
CAS Number:
181478-27-3
Molecular Formula:
C15H15NO3S
Molecular Weight:
289.3495
IUPAC Name:
ethyl 3-acetamido-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C15H15NO3S/c1-3-19-15(18)14-12(16-10(2)17)9-13(20-14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,17)
InChI Key:
JLXSSEQSWAADHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(cc1NC(=O)C)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.349g/mol
Monoisotopic Mass:
289.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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