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1016552-72-9 | 2-Thiophenecarboxylic acid, 3-amino-, hydrochloride (1:1)
CAS No: 1016552-72-9 Catalog No: AG00053Z MDL No:
Product Description
Catalog Number:
AG00053Z
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-, hydrochloride (1:1)
CAS Number:
1016552-72-9
Molecular Formula:
C5H6ClNO2S
Molecular Weight:
179.6246
IUPAC Name:
3-aminothiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H5NO2S.ClH/c6-3-1-2-9-4(3)5(7)8;/h1-2H,6H2,(H,7,8);1H
InChI Key:
PXVZAKMJAWZMGF-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1N.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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