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81741-91-5 | 3-Thiophenecarboxylic acid, 4-(acetylamino)-5-ethyl-, methyl ester
CAS No: 81741-91-5 Catalog No: AG005187 MDL No:
Product Description
Catalog Number:
AG005187
Chemical Name:
3-Thiophenecarboxylic acid, 4-(acetylamino)-5-ethyl-, methyl ester
CAS Number:
81741-91-5
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
methyl 4-acetamido-5-ethylthiophene-3-carboxylate
InChI:
InChI=1S/C10H13NO3S/c1-4-8-9(11-6(2)12)7(5-15-8)10(13)14-3/h5H,4H2,1-3H3,(H,11,12)
InChI Key:
BIRPWHGWIZZJGC-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(c1NC(=O)C)CC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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