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76856-85-4 | Pyridinium, 3-acetyl-1-methoxy-, perchlorate
CAS No: 76856-85-4 Catalog No: AG005HJC MDL No:
Product Description
Catalog Number:
AG005HJC
Chemical Name:
Pyridinium, 3-acetyl-1-methoxy-, perchlorate
CAS Number:
76856-85-4
Molecular Formula:
C8H10ClNO6
Molecular Weight:
251.6211
IUPAC Name:
1-(1-methoxypyridin-1-ium-3-yl)ethanone;perchlorate
InChI:
InChI=1S/C8H10NO2.ClHO4/c1-7(10)8-4-3-5-9(6-8)11-2;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PIYLCECVBPMNJI-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CO[n+]1cccc(c1)C(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.619g/mol
Monoisotopic Mass:
251.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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