Home Sulfos 3-phenylmethanesulfonylbenzoic acid

3-phenylmethanesulfonylbenzoic acid

CAS No.:
28198-29-0
Catalog Number:
AG01AGOR
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
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Product Description
Catalog Number:
AG01AGOR
Chemical Name:
3-phenylmethanesulfonylbenzoic acid
CAS Number:
28198-29-0
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
MDL Number:
MFCD12462807
IUPAC Name:
3-benzylsulfonylbenzoic acid
InChI:
InChI=1S/C14H12O4S/c15-14(16)12-7-4-8-13(9-12)19(17,18)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
InChI Key:
WLBNVHKERLQFBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties