Home Carboxys 3-(methoxycarbonyl)-1-benzothiophene-2-carboxylic acid

3-(methoxycarbonyl)-1-benzothiophene-2-carboxylic acid

CAS No.:
87807-50-9
Catalog Number:
AG01DWRS
Molecular Formula:
C11H8O4S
Molecular Weight:
236.2438
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Product Description
Catalog Number:
AG01DWRS
Chemical Name:
3-(methoxycarbonyl)-1-benzothiophene-2-carboxylic acid
CAS Number:
87807-50-9
Molecular Formula:
C11H8O4S
Molecular Weight:
236.2438
MDL Number:
MFCD31666124
IUPAC Name:
3-methoxycarbonyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C11H8O4S/c1-15-11(14)8-6-4-2-3-5-7(6)16-9(8)10(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
AORRGDHGHTZMHD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(sc2c1cccc2)C(=O)O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.241g/mol
Monoisotopic Mass:
236.014g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties