Home Sulfos 3-(4-methanesulfonylphenoxy)propanoic acid

3-(4-methanesulfonylphenoxy)propanoic acid

CAS No.:
868277-53-6
Catalog Number:
AG01A7TG
Molecular Formula:
C10H12O5S
Molecular Weight:
244.2643
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Product Description
Catalog Number:
AG01A7TG
Chemical Name:
3-(4-methanesulfonylphenoxy)propanoic acid
CAS Number:
868277-53-6
Molecular Formula:
C10H12O5S
Molecular Weight:
244.2643
MDL Number:
MFCD12066109
IUPAC Name:
3-(4-methylsulfonylphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O5S/c1-16(13,14)9-4-2-8(3-5-9)15-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
CRWDFILKKMNMBX-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.261g/mol
Monoisotopic Mass:
244.041g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties