Home Sulfos 4-Methoxy-3-(methylsulfonyl)benzoic Acid

4-Methoxy-3-(methylsulfonyl)benzoic Acid

CAS No.:
213598-13-1
Catalog Number:
AG003LMJ
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
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Product Description
Catalog Number:
AG003LMJ
Chemical Name:
4-Methoxy-3-(methylsulfonyl)benzoic Acid
CAS Number:
213598-13-1
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD10032484
IUPAC Name:
4-methoxy-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O5S/c1-14-7-4-3-6(9(10)11)5-8(7)15(2,12)13/h3-5H,1-2H3,(H,10,11)
InChI Key:
WLGCLZOXUFWRFJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)C)C(=O)O
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties