Benzeneacetic acid, 2-(methylsulfonyl)-


Chemical Name: Benzeneacetic acid, 2-(methylsulfonyl)-
CAS Number: 142336-20-7
Product Number: AG00HWHC(AGN-PC-00NLG6)
Synonyms:
MDL No: MFCD11898924
Molecular Formula: C9H10O4S
Molecular Weight: 214.2383

Identification/Properties


Computed Properties
Molecular Weight:
214.235g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
214.03g/mol
Monoisotopic Mass:
214.03g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
301
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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