Compound Information
CID 6434949
Create Date: 2006-04-28
Deprecated compound

No substance information
Properties and Descriptors
Properties
Molecular Weight 260.264749 [g/mol]
Molecular FormulaC12H17N2NaO3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass260.113687
MonoIsotopic Mass260.113687
Topological Polar Surface Area81.6
Heavy Atom Count18
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES