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89148-90-3 | Pyridinium, 1-(benzoyloxy)-4-(dimethylamino)-, chloride
CAS No: 89148-90-3 Catalog No: AG003YSS MDL No:
Product Description
Catalog Number:
AG003YSS
Chemical Name:
Pyridinium, 1-(benzoyloxy)-4-(dimethylamino)-, chloride
CAS Number:
89148-90-3
Molecular Formula:
C14H15ClN2O2
Molecular Weight:
278.7341
IUPAC Name:
[4-(dimethylamino)pyridin-1-ium-1-yl] benzoate;chloride
InChI:
InChI=1S/C14H15N2O2.ClH/c1-15(2)13-8-10-16(11-9-13)18-14(17)12-6-4-3-5-7-12;/h3-11H,1-2H3;1H/q+1;/p-1
InChI Key:
POYDMXWPTABBTC-UHFFFAOYSA-M
SMILES:
CN(c1cc[n+](cc1)OC(=O)c1ccccc1)C.[Cl-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.736g/mol
Monoisotopic Mass:
278.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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