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89499-27-4 | 2-Thiophenecarboxylic acid, 4-(acetylamino)-5-propyl-, methyl ester
CAS No: 89499-27-4 Catalog No: AG0041IT MDL No:
Product Description
Catalog Number:
AG0041IT
Chemical Name:
2-Thiophenecarboxylic acid, 4-(acetylamino)-5-propyl-, methyl ester
CAS Number:
89499-27-4
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
IUPAC Name:
methyl 4-acetamido-5-propylthiophene-2-carboxylate
InChI:
InChI=1S/C11H15NO3S/c1-4-5-9-8(12-7(2)13)6-10(16-9)11(14)15-3/h6H,4-5H2,1-3H3,(H,12,13)
InChI Key:
POPCMXJBLIDSQY-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1NC(=O)C)C(=O)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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