Home Other Building Blocks 4-(1-benzothiophen-3-yl)-4-oxobutanoic acid

4-(1-benzothiophen-3-yl)-4-oxobutanoic acid

CAS No.:
63471-83-0
Catalog Number:
AG019YGT
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
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Product Description
Catalog Number:
AG019YGT
Chemical Name:
4-(1-benzothiophen-3-yl)-4-oxobutanoic acid
CAS Number:
63471-83-0
Molecular Formula:
C12H10O3S
Molecular Weight:
234.2710
MDL Number:
MFCD01971126
IUPAC Name:
4-(1-benzothiophen-3-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H10O3S/c13-10(5-6-12(14)15)9-7-16-11-4-2-1-3-8(9)11/h1-4,7H,5-6H2,(H,14,15)
InChI Key:
FDRBYNKJXWUFJO-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1csc2c1cccc2
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.269g/mol
Monoisotopic Mass:
234.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties