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Home > Pyridines > 865075-04-3
865075-04-3 | 4-(3-Pyridin-4-yl-propyl)-pyridine 1-oxide
CAS No: 865075-04-3 Catalog No: AG01EXY4 MDL No:MFCD06637772
Product Description
Catalog Number:
AG01EXY4
Chemical Name:
4-(3-Pyridin-4-yl-propyl)-pyridine 1-oxide
CAS Number:
865075-04-3
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD06637772
IUPAC Name:
1-oxido-4-(3-pyridin-4-ylpropyl)pyridin-1-ium
InChI:
InChI=1S/C13H14N2O/c16-15-10-6-13(7-11-15)3-1-2-12-4-8-14-9-5-12/h4-11H,1-3H2
InChI Key:
ZBYYQQVUXWUWCD-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)CCCc1ccncc1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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