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113888-66-7 | Ethanesulfonic acid, 2-[(2-hydroxyacetyl)amino]-
CAS No: 113888-66-7 Catalog No: AG000A0M MDL No:
Product Description
Catalog Number:
AG000A0M
Chemical Name:
Ethanesulfonic acid, 2-[(2-hydroxyacetyl)amino]-
CAS Number:
113888-66-7
Molecular Formula:
C4H9NO5S
Molecular Weight:
183.1830
IUPAC Name:
2-[(2-hydroxyacetyl)amino]ethanesulfonic acid
InChI:
InChI=1S/C4H9NO5S/c6-3-4(7)5-1-2-11(8,9)10/h6H,1-3H2,(H,5,7)(H,8,9,10)
InChI Key:
VPGGDXUJZLDGMC-UHFFFAOYSA-N
SMILES:
OCC(=O)NCCS(=O)(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
183.178g/mol
Monoisotopic Mass:
183.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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