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100047-60-7

100047-60-7 | 2-Thiophenecarboxylic acid, 4-amino-5-methyl-, hydrochloride (1:1)

CAS No: 100047-60-7 Catalog No: AG0000OK MDL No:

Product Description

Catalog Number:
AG0000OK
Chemical Name:
2-Thiophenecarboxylic acid, 4-amino-5-methyl-, hydrochloride (1:1)
CAS Number:
100047-60-7
Molecular Formula:
C6H8ClNO2S
Molecular Weight:
193.6512
IUPAC Name:
4-amino-5-methylthiophene-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H7NO2S.ClH/c1-3-4(7)2-5(10-3)6(8)9;/h2H,7H2,1H3,(H,8,9);1H
InChI Key:
AMSGJCGEZYKBOG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)C)N.Cl

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.996g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.645g/mol
Monoisotopic Mass:
192.996g/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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