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824432-15-7 | Pyridinium, 1-[8-[(phenylacetyl)oxy]octyl]-, iodide
CAS No: 824432-15-7 Catalog No: AG0050QB MDL No:
Product Description
Catalog Number:
AG0050QB
Chemical Name:
Pyridinium, 1-[8-[(phenylacetyl)oxy]octyl]-, iodide
CAS Number:
824432-15-7
Molecular Formula:
C21H28INO2
Molecular Weight:
453.3570
IUPAC Name:
8-pyridin-1-ium-1-yloctyl 2-phenylacetate;iodide
InChI:
InChI=1S/C21H28NO2.HI/c23-21(19-20-13-7-5-8-14-20)24-18-12-4-2-1-3-9-15-22-16-10-6-11-17-22;/h5-8,10-11,13-14,16-17H,1-4,9,12,15,18-19H2;1H/q+1;/p-1
InChI Key:
VCCXCFOTRMOQHY-UHFFFAOYSA-M
SMILES:
O=C(Cc1ccccc1)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.364g/mol
Monoisotopic Mass:
453.116g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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