Home Sulfos 4-(ethylsulfonyl)benzoic acid

4-(ethylsulfonyl)benzoic acid

CAS No.:
21571-66-4
Catalog Number:
AG00BQBA
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG00BQBA
Chemical Name:
4-(ethylsulfonyl)benzoic acid
CAS Number:
21571-66-4
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD09931970
IUPAC Name:
4-ethylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key:
IOMGTNZQTBFAHK-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties