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144883-73-8 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-nonyl-, 3,5-diethyl ester
CAS No: 144883-73-8 Catalog No: AG001KAU MDL No:
Product Description
Catalog Number:
AG001KAU
Chemical Name:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-nonyl-, 3,5-diethyl ester
CAS Number:
144883-73-8
Molecular Formula:
C22H37NO4
Molecular Weight:
379.5335
IUPAC Name:
diethyl 2,6-dimethyl-4-nonyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C22H37NO4/c1-6-9-10-11-12-13-14-15-18-19(21(24)26-7-2)16(4)23-17(5)20(18)22(25)27-8-3/h18,23H,6-15H2,1-5H3
InChI Key:
JMNOCOAOTGJXKM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1C(=C(C)NC(=C1C(=O)OCC)C)C(=O)OCC
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.272g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.541g/mol
Monoisotopic Mass:
379.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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