Home Sulfos 3-(isopropylsulfonyl)benzoic acid

3-(isopropylsulfonyl)benzoic acid

CAS No.:
20884-64-4
Catalog Number:
AG00BW4H
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
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Product Description
Catalog Number:
AG00BW4H
Chemical Name:
3-(isopropylsulfonyl)benzoic acid
CAS Number:
20884-64-4
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD11179715
IUPAC Name:
3-propan-2-ylsulfonylbenzoic acid
InChI:
InChI=1S/C10H12O4S/c1-7(2)15(13,14)9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key:
XFZWBJNMCIHLLI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)C(C)C
Properties
Complexity:
326  
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:
1.4  
Properties