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Home > Pyridines > 133367-95-0
133367-95-0 | 1-(Benzyloxy)-4-methoxypyridin-1-ium perchlorate
CAS No: 133367-95-0 Catalog No: AG01ES8I MDL No:
Product Description
Catalog Number:
AG01ES8I
Chemical Name:
1-(Benzyloxy)-4-methoxypyridin-1-ium perchlorate
CAS Number:
133367-95-0
Molecular Formula:
C13H14ClNO6
Molecular Weight:
315.7064
IUPAC Name:
4-methoxy-1-phenylmethoxypyridin-1-ium;perchlorate
InChI:
InChI=1S/C13H14NO2.ClHO4/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;2-1(3,4)5/h2-10H,11H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DDOKZBOPMXEGHW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1cc[n+](cc1)OCc1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.706g/mol
Monoisotopic Mass:
315.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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