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100047-53-8 | 2-Thiophenecarboxylic acid, 3-amino-5-methyl-
CAS No: 100047-53-8 Catalog No: AG0000NG MDL No:MFCD18904383
Product Description
Catalog Number:
AG0000NG
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-methyl-
CAS Number:
100047-53-8
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD18904383
IUPAC Name:
3-amino-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H7NO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,7H2,1H3,(H,8,9)
InChI Key:
BLEZJNAXCPGYTF-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)C(=O)O)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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