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19921-03-0 | Pyridinium, 1-(acetyloxy)-4-methoxy-, perchlorate (1:1)
CAS No: 19921-03-0 Catalog No: AG002BZI MDL No:
Product Description
Catalog Number:
AG002BZI
Chemical Name:
Pyridinium, 1-(acetyloxy)-4-methoxy-, perchlorate (1:1)
CAS Number:
19921-03-0
Molecular Formula:
C8H10ClNO7
Molecular Weight:
267.6205
IUPAC Name:
(4-methoxypyridin-1-ium-1-yl) acetate;perchlorate
InChI:
InChI=1S/C8H10NO3.ClHO4/c1-7(10)12-9-5-3-8(11-2)4-6-9;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
YPLZKYYZGFABEQ-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1cc[n+](cc1)OC(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.618g/mol
Monoisotopic Mass:
267.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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