methyl 4-methyl-3-methylsulfonylbenzoate


Chemical Name: methyl 4-methyl-3-methylsulfonylbenzoate
CAS Number: 906816-32-8
Product Number: AG003RVX(AGN-PC-0C9TUQ)
Synonyms:
MDL No: MFCD22586702
Molecular Formula: C10H12O4S
Molecular Weight: 228.2649

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
228.262g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
228.046g/mol
Monoisotopic Mass:
228.046g/mol
Topological Polar Surface Area:
68.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
328
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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