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824432-16-8 | Pyridinium, 1-[8-[(2R)-1-oxo-2-phenylbutoxy]octyl]-, iodide
CAS No: 824432-16-8 Catalog No: AG0050QA MDL No:
Product Description
Catalog Number:
AG0050QA
Chemical Name:
Pyridinium, 1-[8-[(2R)-1-oxo-2-phenylbutoxy]octyl]-, iodide
CAS Number:
824432-16-8
Molecular Formula:
C23H32INO2
Molecular Weight:
481.4102
IUPAC Name:
8-pyridin-1-ium-1-yloctyl (2R)-2-phenylbutanoate;iodide
InChI:
InChI=1S/C23H32NO2.HI/c1-2-22(21-15-9-7-10-16-21)23(25)26-20-14-6-4-3-5-11-17-24-18-12-8-13-19-24;/h7-10,12-13,15-16,18-19,22H,2-6,11,14,17,20H2,1H3;1H/q+1;/p-1/t22-;/m1./s1
InChI Key:
IXOGJNNWJFVRSB-VZYDHVRKSA-M
SMILES:
CC[C@H](c1ccccc1)C(=O)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
481.148g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.418g/mol
Monoisotopic Mass:
481.148g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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