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101537-64-8 | 2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 101537-64-8 Catalog No: AG0004Q3 MDL No:MFCD02682396
Product Description
Catalog Number:
AG0004Q3
Chemical Name:
2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
101537-64-8
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD02682396
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
InChI:
InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-6-4-5-16-7(6)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChI Key:
QAXIGPOUDYLWDU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccsc1C(=O)O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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