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56680-03-6 | 1-Methoxy-2-(methoxycarbonyl)pyridin-1-ium perchlorate
CAS No: 56680-03-6 Catalog No: AG01EWHC MDL No:MFCD05742393
Product Description
Catalog Number:
AG01EWHC
Chemical Name:
1-Methoxy-2-(methoxycarbonyl)pyridin-1-ium perchlorate
CAS Number:
56680-03-6
Molecular Formula:
C8H10ClNO7
Molecular Weight:
267.6205
MDL Number:
MFCD05742393
IUPAC Name:
methyl 1-methoxypyridin-1-ium-2-carboxylate;perchlorate
InChI:
InChI=1S/C8H10NO3.ClHO4/c1-11-8(10)7-5-3-4-6-9(7)12-2;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
VPDWBPVMXZTKAI-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COC(=O)c1cccc[n+]1OC
Properties
Complexity:
256
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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