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Home Sulfos 2-Methoxy-5-(methylsulfonyl)benzoic acid

2-Methoxy-5-(methylsulfonyl)benzoic acid

CAS No.:
50390-76-6
Catalog Number:
AG00I91S
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$23
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00I91S
Chemical Name:
2-Methoxy-5-(methylsulfonyl)benzoic acid
CAS Number:
50390-76-6
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD01317544
IUPAC Name:
2-methoxy-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
BXWLVQXAFBWKSR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)C
EC Number:
256-573-4
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:
0.4  
Literature
Title Journal
Stability-indicating methods for determination of tiapride in pure form, pharmaceutical preparation, and human plasma. Journal of AOAC International 20070101
Properties