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116818-11-2 | Benzenesulfonic acid, 5-amino-2-(2-aminoethoxy)-
CAS No: 116818-11-2 Catalog No: AG000D9M MDL No:
Product Description
Catalog Number:
AG000D9M
Chemical Name:
Benzenesulfonic acid, 5-amino-2-(2-aminoethoxy)-
CAS Number:
116818-11-2
Molecular Formula:
C8H12N2O4S
Molecular Weight:
232.2569
IUPAC Name:
5-amino-2-(2-aminoethoxy)benzenesulfonic acid
InChI:
InChI=1S/C8H12N2O4S/c9-3-4-14-7-2-1-6(10)5-8(7)15(11,12)13/h1-2,5H,3-4,9-10H2,(H,11,12,13)
InChI Key:
NXXLUOAEDMHMMK-UHFFFAOYSA-N
SMILES:
NCCOc1ccc(cc1S(=O)(=O)O)N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.254g/mol
Monoisotopic Mass:
232.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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