Home Sulfos 4-(Isopropylsulfonyl)benzoic acid

4-(Isopropylsulfonyl)benzoic acid

CAS No.:
20884-61-1
Catalog Number:
AG002JXD
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$94
- +
1g
96%
In Stock USA
United States
$263
- +
5g
96%
In Stock USA
United States
$769
- +
10g
96%
In Stock USA
United States
$1144
- +
Product Description
Catalog Number:
AG002JXD
Chemical Name:
4-(Isopropylsulfonyl)benzoic acid
CAS Number:
20884-61-1
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD09928170
IUPAC Name:
4-propan-2-ylsulfonylbenzoic acid
InChI:
InChI=1S/C10H12O4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key:
BOJGIPHAFYLYRH-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties