3,5-Pyridinedicarboxylic acid,4-[2-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-2,6-dimethyl-,diethyl ester, (E)-


Chemical Name: 3,5-Pyridinedicarboxylic acid,4-[2-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-2,6-dimethyl-,diethyl ester, (E)-
CAS Number: 130996-24-6
Product Number: AG000V8C(AGN-PC-0PJDYL)
Synonyms:
MDL No:
Molecular Formula: C26H31NO6
Molecular Weight: 453.5274

Identification/Properties


Computed Properties
Molecular Weight:
453.5g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
11
Exact Mass:
453.215138g/mol
Monoisotopic Mass:
453.215138g/mol
Topological Polar Surface Area:
91.8Ų
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
682
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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