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13640-54-5 | Pyridinium, 1-methyl-4-[(2-oxocyclopentyl)methyl]-, iodide (1:1)
CAS No: 13640-54-5 Catalog No: AG0011U9 MDL No:
Product Description
Catalog Number:
AG0011U9
Chemical Name:
Pyridinium, 1-methyl-4-[(2-oxocyclopentyl)methyl]-, iodide (1:1)
CAS Number:
13640-54-5
Molecular Formula:
C12H16INO
Molecular Weight:
317.1660
IUPAC Name:
2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one;iodide
InChI:
InChI=1S/C12H16NO.HI/c1-13-7-5-10(6-8-13)9-11-3-2-4-12(11)14;/h5-8,11H,2-4,9H2,1H3;1H/q+1;/p-1
InChI Key:
XIDLTQADHSTDJC-UHFFFAOYSA-M
SMILES:
O=C1CCCC1Cc1cc[n+](cc1)C.[I-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.17g/mol
Monoisotopic Mass:
317.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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