Home Sulfos 4-Toluenesulfonylacetic acid

4-Toluenesulfonylacetic acid

CAS No.:
3937-96-0
Catalog Number:
AG003M2J
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$219
- +
25g
95%
In Stock USA
United States
$863
- +
Product Description
Catalog Number:
AG003M2J
Chemical Name:
4-Toluenesulfonylacetic acid
CAS Number:
3937-96-0
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00021764
IUPAC Name:
2-(4-methylphenyl)sulfonylacetic acid
InChI:
InChI=1S/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
AQDHXMBUTDLAMD-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)c1ccc(cc1)C
EC Number:
223-518-0
UNII:
YID78NF77O
NSC Number:
46893
Properties
Complexity:
293  
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:
1.1  
Properties