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115109-05-2 | 3,4-Pyridinedicarboxylic acid, 5-amino-6-methyl-, 3,4-diethyl ester
CAS No: 115109-05-2 Catalog No: AG000GAO MDL No:
Product Description
Catalog Number:
AG000GAO
Chemical Name:
3,4-Pyridinedicarboxylic acid, 5-amino-6-methyl-, 3,4-diethyl ester
CAS Number:
115109-05-2
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
diethyl 5-amino-6-methylpyridine-3,4-dicarboxylate
InChI:
InChI=1S/C12H16N2O4/c1-4-17-11(15)8-6-14-7(3)10(13)9(8)12(16)18-5-2/h6H,4-5,13H2,1-3H3
InChI Key:
RMQCZHCAJXBBFM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(c(c1C(=O)OCC)N)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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