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192507-92-9 | 1-Propanesulfonic acid, 3-(2-aminophenoxy)-
CAS No: 192507-92-9 Catalog No: AG002G0P MDL No:
Product Description
Catalog Number:
AG002G0P
Chemical Name:
1-Propanesulfonic acid, 3-(2-aminophenoxy)-
CAS Number:
192507-92-9
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
IUPAC Name:
3-(2-aminophenoxy)propane-1-sulfonic acid
InChI:
InChI=1S/C9H13NO4S/c10-8-4-1-2-5-9(8)14-6-3-7-15(11,12)13/h1-2,4-5H,3,6-7,10H2,(H,11,12,13)
InChI Key:
NTFVRNCDLGFPFA-UHFFFAOYSA-N
SMILES:
Nc1ccccc1OCCCS(=O)(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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