Home Sulfos Benzeneacetic acid, 2-(methylsulfonyl)-

Benzeneacetic acid, 2-(methylsulfonyl)-

CAS No.:
142336-20-7
Catalog Number:
AG00HWHC
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
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Product Description
Catalog Number:
AG00HWHC
Chemical Name:
Benzeneacetic acid, 2-(methylsulfonyl)-
CAS Number:
142336-20-7
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD11898924
IUPAC Name:
2-(2-methylsulfonylphenyl)acetic acid
InChI:
InChI=1S/C9H10O4S/c1-14(12,13)8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
HHYARTYRXSPXKG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1S(=O)(=O)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties