Benzoic acid, 2-(methylsulfonyl)-


Chemical Name: Benzoic acid, 2-(methylsulfonyl)-
CAS Number: 33963-55-2
Product Number: AG003F38(AGN-PC-0JP7FO)
Synonyms:
MDL No: MFCD00216492
Molecular Formula: C8H8O4S
Molecular Weight: 200.2117

Identification/Properties


Properties
MP:
136-141 °C
BP:
437.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
200.208g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
200.014g/mol
Monoisotopic Mass:
200.014g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
288
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+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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