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149587-72-4 | 2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 149587-72-4 Catalog No: AG001LU4 MDL No:MFCD01763684
Product Description
Catalog Number:
AG001LU4
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
149587-72-4
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD01763684
IUPAC Name:
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChI Key:
JEMOHNKXRFEUDT-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1NC(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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