Home Sulfos α-acetophenonesulfonic acid sodiuM salt

α-acetophenonesulfonic acid sodiuM salt

CAS No.:
63738-92-1
Catalog Number:
AG00EL33
Molecular Formula:
C8H7NaO4S
Molecular Weight:
222.1936
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Product Description
Catalog Number:
AG00EL33
Chemical Name:
α-acetophenonesulfonic acid sodiuM salt
CAS Number:
63738-92-1
Molecular Formula:
C8H7NaO4S
Molecular Weight:
222.1936
MDL Number:
MFCD00811966
IUPAC Name:
sodium;2-oxo-2-phenylethanesulfonate
InChI:
InChI=1S/C8H8O4S.Na/c9-8(6-13(10,11)12)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11,12);/q;+1/p-1
InChI Key:
UEJVLNHEZSOOOG-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)CS(=O)(=O)[O-].[Na+]
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.19g/mol
Monoisotopic Mass:
221.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties