3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl(2E)-3-phenyl-2-propenyl ester


Chemical Name: 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl(2E)-3-phenyl-2-propenyl ester
CAS Number: 132203-70-4
Product Number: AG0010DR(AGN-PC-0PJNMD)
Synonyms:
MDL No:
Molecular Formula: C27H28N2O7
Molecular Weight: 492.5204

Identification/Properties


Computed Properties
Molecular Weight:
492.528g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
492.19g/mol
Monoisotopic Mass:
492.19g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
896
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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