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828915-36-2 | 1,4-Benzenedicarboxylic acid, bis[3-(2-pyridinyl)propyl] ester
CAS No: 828915-36-2 Catalog No: AG004S8U MDL No:
Product Description
Catalog Number:
AG004S8U
Chemical Name:
1,4-Benzenedicarboxylic acid, bis[3-(2-pyridinyl)propyl] ester
CAS Number:
828915-36-2
Molecular Formula:
C24H24N2O4
Molecular Weight:
404.4584
IUPAC Name:
bis(3-pyridin-2-ylpropyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C24H24N2O4/c27-23(29-17-5-9-21-7-1-3-15-25-21)19-11-13-20(14-12-19)24(28)30-18-6-10-22-8-2-4-16-26-22/h1-4,7-8,11-16H,5-6,9-10,17-18H2
InChI Key:
CMLZUYITPGZFLN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCCCc1ccccn1)OCCCc1ccccn1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.466g/mol
Monoisotopic Mass:
404.174g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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