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1153-67-9 | 3,5-Pyridinedicarboxylic acid, 4-ethyl-2,6-dimethyl-, 3,5-diethyl ester
CAS No: 1153-67-9 Catalog No: AG000GLC MDL No:
Product Description
Catalog Number:
AG000GLC
Chemical Name:
3,5-Pyridinedicarboxylic acid, 4-ethyl-2,6-dimethyl-, 3,5-diethyl ester
CAS Number:
1153-67-9
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
diethyl 4-ethyl-2,6-dimethylpyridine-3,5-dicarboxylate
InChI:
InChI=1S/C15H21NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h6-8H2,1-5H3
InChI Key:
MZUUZRYSBHOJQX-UHFFFAOYSA-N
SMILES:
CCc1c(C(=O)OCC)c(C)nc(c1C(=O)OCC)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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