Home Carboxys 2,5-Thiophenedicarboxylicacid,3-amino-,2-methylester(9CI)

2,5-Thiophenedicarboxylicacid,3-amino-,2-methylester(9CI)

CAS No.:
785803-73-8
Catalog Number:
AG00GIK0
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
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Product Description
Catalog Number:
AG00GIK0
Chemical Name:
2,5-Thiophenedicarboxylicacid,3-amino-,2-methylester(9CI)
CAS Number:
785803-73-8
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD28385046
IUPAC Name:
4-amino-5-methoxycarbonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H7NO4S/c1-12-7(11)5-3(8)2-4(13-5)6(9)10/h2H,8H2,1H3,(H,9,10)
InChI Key:
URDKTIQHWDIECK-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)C(=O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties