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116539-01-6 | 3-Thiophenecarboxylic acid, 5-amino-
CAS No: 116539-01-6 Catalog No: AG000CQ0 MDL No:MFCD09263797
Product Description
Catalog Number:
AG000CQ0
Chemical Name:
3-Thiophenecarboxylic acid, 5-amino-
CAS Number:
116539-01-6
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD09263797
IUPAC Name:
5-aminothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H5NO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,6H2,(H,7,8)
InChI Key:
GDCXAVLSIKFZMY-UHFFFAOYSA-N
SMILES:
Nc1scc(c1)C(=O)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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