Home Carboxys 2-acetyl-1-benzothiophene-3-carboxylic acid

2-acetyl-1-benzothiophene-3-carboxylic acid

CAS No.:
573722-47-1
Catalog Number:
AG01DWI9
Molecular Formula:
C11H8O3S
Molecular Weight:
220.2444
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Product Description
Catalog Number:
AG01DWI9
Chemical Name:
2-acetyl-1-benzothiophene-3-carboxylic acid
CAS Number:
573722-47-1
Molecular Formula:
C11H8O3S
Molecular Weight:
220.2444
MDL Number:
MFCD28674374
IUPAC Name:
2-acetyl-1-benzothiophene-3-carboxylic acid
InChI:
InChI=1S/C11H8O3S/c1-6(12)10-9(11(13)14)7-4-2-3-5-8(7)15-10/h2-5H,1H3,(H,13,14)
InChI Key:
HERIBGJXNKWRRX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(sc2c1cccc2)C(=O)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.242g/mol
Monoisotopic Mass:
220.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties