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80692-50-8 | Pyridine, 4-[4-(heptyloxy)phenyl]-, 1-oxide
CAS No: 80692-50-8 Catalog No: AG005JXI MDL No:
Product Description
Catalog Number:
AG005JXI
Chemical Name:
Pyridine, 4-[4-(heptyloxy)phenyl]-, 1-oxide
CAS Number:
80692-50-8
Molecular Formula:
C18H23NO2
Molecular Weight:
285.3807
IUPAC Name:
4-(4-heptoxyphenyl)-1-oxidopyridin-1-ium
InChI:
InChI=1S/C18H23NO2/c1-2-3-4-5-6-15-21-18-9-7-16(8-10-18)17-11-13-19(20)14-12-17/h7-14H,2-6,15H2,1H3
InChI Key:
MSNGFQXKJLTKTB-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)c1cc[n+](cc1)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.387g/mol
Monoisotopic Mass:
285.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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