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14597-60-5 | 2-Thiophenecarboxylic acid, 5-(acetylamino)-, methyl ester
CAS No: 14597-60-5 Catalog No: AG001DKT MDL No:
Product Description
Catalog Number:
AG001DKT
Chemical Name:
2-Thiophenecarboxylic acid, 5-(acetylamino)-, methyl ester
CAS Number:
14597-60-5
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
IUPAC Name:
methyl 5-acetamidothiophene-2-carboxylate
InChI:
InChI=1S/C8H9NO3S/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChI Key:
GPZVYYUYNCEQJD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)NC(=O)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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