Home Carboxys 5-(aminocarbonyl)thiophene-2-carboxylic acid

5-(aminocarbonyl)thiophene-2-carboxylic acid

CAS No.:
345992-88-3
Catalog Number:
AG00COE5
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
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Product Description
Catalog Number:
AG00COE5
Chemical Name:
5-(aminocarbonyl)thiophene-2-carboxylic acid
CAS Number:
345992-88-3
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
MDL Number:
MFCD01995749
IUPAC Name:
5-carbamoylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5NO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChI Key:
QHUQNZMROQKPRS-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(s1)C(=O)O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties