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1216-01-9 | Pyridinium, 4-(methoxycarbonyl)-1-(phenylmethyl)-, iodide (1:1)
CAS No: 1216-01-9 Catalog No: AG0015DG MDL No:
Product Description
Catalog Number:
AG0015DG
Chemical Name:
Pyridinium, 4-(methoxycarbonyl)-1-(phenylmethyl)-, iodide (1:1)
CAS Number:
1216-01-9
Molecular Formula:
C14H14INO2
Molecular Weight:
355.1709
IUPAC Name:
methyl 1-benzylpyridin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C14H14NO2.HI/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12;/h2-10H,11H2,1H3;1H/q+1;/p-1
InChI Key:
AMYNTNLZCSVDNE-UHFFFAOYSA-M
SMILES:
COC(=O)c1cc[n+](cc1)Cc1ccccc1.[I-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.175g/mol
Monoisotopic Mass:
355.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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