Home Sulfos 4-[(Methylsulfonyl)oxy]-benzeneacetic acid

4-[(Methylsulfonyl)oxy]-benzeneacetic acid

CAS No.:
64369-79-5
Catalog Number:
AG00EAH9
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$848
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Product Description
Catalog Number:
AG00EAH9
Chemical Name:
4-[(Methylsulfonyl)oxy]-benzeneacetic acid
CAS Number:
64369-79-5
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD09800580
IUPAC Name:
2-(4-methylsulfonyloxyphenyl)acetic acid
InChI:
InChI=1S/C9H10O5S/c1-15(12,13)14-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
QTOQTPBCDMNMCK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)OS(=O)(=O)C
Properties
Complexity:
308  
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:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties