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

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

CAS No.:
24444-97-1
Catalog Number:
AG019ZE9
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
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Product Description
Catalog Number:
AG019ZE9
Chemical Name:
4-(1-benzothiophen-3-yl)butanoic acid
CAS Number:
24444-97-1
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
MDL Number:
MFCD11204118
IUPAC Name:
4-(1-benzothiophen-3-yl)butanoic acid
InChI:
InChI=1S/C12H12O2S/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7H2,(H,13,14)
InChI Key:
NHPNSMHPYFWPLZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1csc2c1cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties