Benzoic acid, 4-methoxy-3-(methylsulfonyl)-


Chemical Name: Benzoic acid, 4-methoxy-3-(methylsulfonyl)-
CAS Number: 213598-13-1
Product Number: AG003LMJ(AGN-PC-03RTV1)
Synonyms:
MDL No: MFCD10032484
Molecular Formula: C9H10O5S
Molecular Weight: 230.2377

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
230.234g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
230.025g/mol
Monoisotopic Mass:
230.025g/mol
Topological Polar Surface Area:
89A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
329
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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