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Home > Pyridines > 136969-37-4
136969-37-4 | Pyridinium, 2,4,6-trimethyl-1-(phenylmethoxy)-, perchlorate (1:1)
CAS No: 136969-37-4 Catalog No: AG0012ME MDL No:
Product Description
Catalog Number:
AG0012ME
Chemical Name:
Pyridinium, 2,4,6-trimethyl-1-(phenylmethoxy)-, perchlorate (1:1)
CAS Number:
136969-37-4
Molecular Formula:
C15H18ClNO5
Molecular Weight:
327.7601
IUPAC Name:
2,4,6-trimethyl-1-phenylmethoxypyridin-1-ium;perchlorate
InChI:
InChI=1S/C15H18NO.ClHO4/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15;2-1(3,4)5/h4-10H,11H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DCQUTCULSXCXJV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)OCc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.761g/mol
Monoisotopic Mass:
327.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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