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824432-51-1 | 2,6-Pyridinedicarboxylic acid, dihexyl ester
CAS No: 824432-51-1 Catalog No: AG0050Q7 MDL No:
Product Description
Catalog Number:
AG0050Q7
Chemical Name:
2,6-Pyridinedicarboxylic acid, dihexyl ester
CAS Number:
824432-51-1
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
dihexyl pyridine-2,6-dicarboxylate
InChI:
InChI=1S/C19H29NO4/c1-3-5-7-9-14-23-18(21)16-12-11-13-17(20-16)19(22)24-15-10-8-6-4-2/h11-13H,3-10,14-15H2,1-2H3
InChI Key:
RWKUEDJMTOUZTO-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1cccc(n1)C(=O)OCCCCCC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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