Home Sulfos sodium 1-hydroxy-2-phenylethane-1-sulfonate

sodium 1-hydroxy-2-phenylethane-1-sulfonate

CAS No.:
6950-57-8
Catalog Number:
AG01BDM6
Molecular Formula:
C8H9NaO4S
Molecular Weight:
224.2094
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Product Description
Catalog Number:
AG01BDM6
Chemical Name:
sodium 1-hydroxy-2-phenylethane-1-sulfonate
CAS Number:
6950-57-8
Molecular Formula:
C8H9NaO4S
Molecular Weight:
224.2094
MDL Number:
MFCD28023768
IUPAC Name:
sodium;1-hydroxy-2-phenylethanesulfonate
InChI:
InChI=1S/C8H10O4S.Na/c9-8(13(10,11)12)6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2,(H,10,11,12);/q;+1/p-1
InChI Key:
QIBUJUVMHPDPGS-UHFFFAOYSA-M
SMILES:
OC(S(=O)(=O)[O-])Cc1ccccc1.[Na+]
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.206g/mol
Monoisotopic Mass:
224.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties