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89808-20-8 | Pyridinium, 3-(methoxycarbonyl)-1-(phenoxycarbonyl)-, chloride
CAS No: 89808-20-8 Catalog No: AG003Y6D MDL No:
Product Description
Catalog Number:
AG003Y6D
Chemical Name:
Pyridinium, 3-(methoxycarbonyl)-1-(phenoxycarbonyl)-, chloride
CAS Number:
89808-20-8
Molecular Formula:
C14H12ClNO4
Molecular Weight:
293.7024
IUPAC Name:
3-O-methyl 1-O-phenyl pyridin-1-ium-1,3-dicarboxylate;chloride
InChI:
InChI=1S/C14H12NO4.ClH/c1-18-13(16)11-6-5-9-15(10-11)14(17)19-12-7-3-2-4-8-12;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
HPWPXFFKOPLDQD-UHFFFAOYSA-M
SMILES:
COC(=O)c1ccc[n+](c1)C(=O)Oc1ccccc1.[Cl-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.703g/mol
Monoisotopic Mass:
293.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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