Home Carboxys 4-methoxythiophene-2-carboxylic acid

4-methoxythiophene-2-carboxylic acid

CAS No.:
77133-27-8
Catalog Number:
AG00GGK0
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
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Product Description
Catalog Number:
AG00GGK0
Chemical Name:
4-methoxythiophene-2-carboxylic acid
CAS Number:
77133-27-8
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
MDL Number:
MFCD08695893
IUPAC Name:
4-methoxythiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6O3S/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8)
InChI Key:
RZKNUGQFDJQRJO-UHFFFAOYSA-N
SMILES:
COc1csc(c1)C(=O)O
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties