Home Sulfos sodium 2-carboxyethane-1-sulfonate

sodium 2-carboxyethane-1-sulfonate

CAS No.:
148048-91-3
Catalog Number:
AG01C2RB
Molecular Formula:
C3H5NaO5S
Molecular Weight:
176.1236
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Product Description
Catalog Number:
AG01C2RB
Chemical Name:
sodium 2-carboxyethane-1-sulfonate
CAS Number:
148048-91-3
Molecular Formula:
C3H5NaO5S
Molecular Weight:
176.1236
MDL Number:
MFCD20660924
IUPAC Name:
sodium;3-hydroxy-3-oxopropane-1-sulfonate
InChI:
InChI=1S/C3H6O5S.Na/c4-3(5)1-2-9(6,7)8;/h1-2H2,(H,4,5)(H,6,7,8);/q;+1/p-1
InChI Key:
JGNGXRPVDWAUAR-UHFFFAOYSA-M
SMILES:
OC(=O)CCS(=O)(=O)[O-].[Na+]
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.976g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.118g/mol
Monoisotopic Mass:
175.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties