1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanesulfonic acid


Chemical Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanesulfonic acid
CAS Number: 26405-77-6
Product Number: AG002T3J(AGN-PC-00MU8L)
Synonyms:
MDL No:
Molecular Formula: C9H13NO5S
Molecular Weight: 247.2682

Identification/Properties


Computed Properties
Molecular Weight:
247.265g/mol
XLogP3:
-4.1
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
247.051g/mol
Monoisotopic Mass:
247.051g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
312
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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