Home Sulfos Benzoic acid, 2-methyl-5-(methylsulfonyl)-

Benzoic acid, 2-methyl-5-(methylsulfonyl)-

CAS No.:
151104-37-9
Catalog Number:
AG001N3X
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG001N3X
Chemical Name:
Benzoic acid, 2-methyl-5-(methylsulfonyl)-
CAS Number:
151104-37-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD06340094
IUPAC Name:
2-methyl-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
KRVIUQHVAZLPNU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)S(=O)(=O)C
Properties
Complexity:
314  
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:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties