Home Carboxys Benzo[b]thiophene-7-carboxylic acid

Benzo[b]thiophene-7-carboxylic acid

CAS No.:
10134-98-2
Catalog Number:
AG0004AB
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
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Product Description
Catalog Number:
AG0004AB
Chemical Name:
Benzo[b]thiophene-7-carboxylic acid
CAS Number:
10134-98-2
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD08572208
IUPAC Name:
1-benzothiophene-7-carboxylic acid
InChI:
InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)
InChI Key:
LJPSRTWIAXVPIS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1scc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties