Home Other Building Blocks 2-[4-(2-methoxyethanesulfinyl)phenyl]acetic acid

2-[4-(2-methoxyethanesulfinyl)phenyl]acetic acid

CAS No.:
1485935-41-8
Catalog Number:
AG01C3AB
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
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Product Description
Catalog Number:
AG01C3AB
Chemical Name:
2-[4-(2-methoxyethanesulfinyl)phenyl]acetic acid
CAS Number:
1485935-41-8
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD20440555
IUPAC Name:
2-[4-(2-methoxyethylsulfinyl)phenyl]acetic acid
InChI:
InChI=1S/C11H14O4S/c1-15-6-7-16(14)10-4-2-9(3-5-10)8-11(12)13/h2-5H,6-8H2,1H3,(H,12,13)
InChI Key:
KYCABZUPZOOPPY-UHFFFAOYSA-N
SMILES:
COCCS(=O)c1ccc(cc1)CC(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties