Home Sulfos Methyl 2-Methyl-4-(methylsulfonyl)benzoate

Methyl 2-Methyl-4-(methylsulfonyl)benzoate

CAS No.:
875895-64-0
Catalog Number:
AG003ROP
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
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Product Description
Catalog Number:
AG003ROP
Chemical Name:
Methyl 2-Methyl-4-(methylsulfonyl)benzoate
CAS Number:
875895-64-0
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD16495876
IUPAC Name:
methyl 2-methyl-4-methylsulfonylbenzoate
InChI:
InChI=1S/C10H12O4S/c1-7-6-8(15(3,12)13)4-5-9(7)10(11)14-2/h4-6H,1-3H3
InChI Key:
YVLHCANJHJUCJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C)S(=O)(=O)C
Properties
Complexity:
328  
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:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties