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89148-91-4 | Pyridinium, 1-(benzoyloxy)-4-methoxy-, chloride
CAS No: 89148-91-4 Catalog No: AG003WWA MDL No:
Product Description
Catalog Number:
AG003WWA
Chemical Name:
Pyridinium, 1-(benzoyloxy)-4-methoxy-, chloride
CAS Number:
89148-91-4
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
IUPAC Name:
(4-methoxypyridin-1-ium-1-yl) benzoate;chloride
InChI:
InChI=1S/C13H12NO3.ClH/c1-16-12-7-9-14(10-8-12)17-13(15)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
SRICCOFRGNTRRH-UHFFFAOYSA-M
SMILES:
COc1cc[n+](cc1)OC(=O)c1ccccc1.[Cl-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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