Home Carboxys 6-Methoxybenzo[b]thiophene-3-carboxylic acid

6-Methoxybenzo[b]thiophene-3-carboxylic acid

CAS No.:
43121-88-6
Catalog Number:
AG00DLYE
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
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Product Description
Catalog Number:
AG00DLYE
Chemical Name:
6-Methoxybenzo[b]thiophene-3-carboxylic acid
CAS Number:
43121-88-6
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
MDL Number:
MFCD18452490
IUPAC Name:
6-methoxy-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C10H8O3S/c1-13-6-2-3-7-8(10(11)12)5-14-9(7)4-6/h2-5H,1H3,(H,11,12)
InChI Key:
ZHTNKGUDSUGTBY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)scc2C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties