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89499-33-2 | 4-Aminothiophene-2-carboxylic acid hydrochloride
CAS No: 89499-33-2 Catalog No: AG0041IR MDL No:
Product Description
Catalog Number:
AG0041IR
Chemical Name:
4-Aminothiophene-2-carboxylic acid hydrochloride
CAS Number:
89499-33-2
Molecular Formula:
C5H6ClNO2S
Molecular Weight:
179.6246
IUPAC Name:
4-aminothiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H5NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h1-2H,6H2,(H,7,8);1H
InChI Key:
BBBINYOGUKHQRM-UHFFFAOYSA-N
SMILES:
Nc1cc(sc1)C(=O)O.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.618g/mol
Monoisotopic Mass:
178.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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