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Home > Pyridines > 1228960-86-8
1228960-86-8 | Pyridine, 4,4'-[[2-methyl-2-[(4-pyridinyloxy)methyl]-1,3-propanediyl]bis(oxy)]bis-
CAS No: 1228960-86-8 Catalog No: AG000JQ5 MDL No:MFCD30478730
Product Description
Catalog Number:
AG000JQ5
Chemical Name:
Pyridine, 4,4'-[[2-methyl-2-[(4-pyridinyloxy)methyl]-1,3-propanediyl]bis(oxy)]bis-
CAS Number:
1228960-86-8
Molecular Formula:
C20H21N3O3
Molecular Weight:
351.3990
MDL Number:
MFCD30478730
IUPAC Name:
4-[2-methyl-3-pyridin-4-yloxy-2-(pyridin-4-yloxymethyl)propoxy]pyridine
InChI:
InChI=1S/C20H21N3O3/c1-20(14-24-17-2-8-21-9-3-17,15-25-18-4-10-22-11-5-18)16-26-19-6-12-23-13-7-19/h2-13H,14-16H2,1H3
InChI Key:
VLPYQPNJFKVNSN-UHFFFAOYSA-N
SMILES:
CC(COc1ccncc1)(COc1ccncc1)COc1ccncc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.406g/mol
Monoisotopic Mass:
351.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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