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478079-16-2

478079-16-2 structural image
Product Name: METHYL 2-[1-(3,4-DIMETHOXYPHENETHYL)-4-HYDROXY-2-OXO-1,2-DIHYDRO-3-PYRIDINYL]ACETATE
Formula: C18H21NO6
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >52.1 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 347.4 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 347.13688739 g/mol
Monoisotopic Mass 347.13688739 g/mol
Topological Polar Surface Area 85.3 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 556
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes