Home Carboxys 2-(carboxymethyl)thiophene-3-carboxylic acid

2-(carboxymethyl)thiophene-3-carboxylic acid

CAS No.:
332013-53-3
Catalog Number:
AG00CKF6
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
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Product Description
Catalog Number:
AG00CKF6
Chemical Name:
2-(carboxymethyl)thiophene-3-carboxylic acid
CAS Number:
332013-53-3
Molecular Formula:
C7H6O4S
Molecular Weight:
186.1851
MDL Number:
MFCD20641741
IUPAC Name:
2-(carboxymethyl)thiophene-3-carboxylic acid
InChI:
InChI=1S/C7H6O4S/c8-6(9)3-5-4(7(10)11)1-2-12-5/h1-2H,3H2,(H,8,9)(H,10,11)
InChI Key:
RUFLXAZKSIUZLY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sccc1C(=O)O
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
186.181g/mol
Monoisotopic Mass:
185.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties