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144883-74-9 | 3,5-Pyridinedicarboxylic acid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
CAS No: 144883-74-9 Catalog No: AG001KAT MDL No:
Product Description
Catalog Number:
AG001KAT
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-dodecyl-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
CAS Number:
144883-74-9
Molecular Formula:
C25H43NO4
Molecular Weight:
421.6132
IUPAC Name:
diethyl 4-dodecyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C25H43NO4/c1-6-9-10-11-12-13-14-15-16-17-18-21-22(24(27)29-7-2)19(4)26-20(5)23(21)25(28)30-8-3/h21,26H,6-18H2,1-5H3
InChI Key:
QZOZGQPSGHHVSP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.319g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.622g/mol
Monoisotopic Mass:
421.319g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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