Home Other Building Blocks 2-(3-methyl-1-benzothiophen-2-yl)-2-oxoacetic acid

2-(3-methyl-1-benzothiophen-2-yl)-2-oxoacetic acid

CAS No.:
1258649-68-1
Catalog Number:
AG01AAUA
Molecular Formula:
C11H8O3S
Molecular Weight:
220.2444
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Product Description
Catalog Number:
AG01AAUA
Chemical Name:
2-(3-methyl-1-benzothiophen-2-yl)-2-oxoacetic acid
CAS Number:
1258649-68-1
Molecular Formula:
C11H8O3S
Molecular Weight:
220.2444
MDL Number:
MFCD17480432
IUPAC Name:
2-(3-methyl-1-benzothiophen-2-yl)-2-oxoacetic acid
InChI:
InChI=1S/C11H8O3S/c1-6-7-4-2-3-5-8(7)15-10(6)9(12)11(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
XUSVJLDZZOIHHL-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1sc2c(c1C)cccc2
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:
3  
Properties