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824432-17-9 | Pyridinium, 1-[8-[[(2S)-methoxyphenylacetyl]oxy]octyl]-, iodide
CAS No: 824432-17-9 Catalog No: AG004VZK MDL No:
Product Description
Catalog Number:
AG004VZK
Chemical Name:
Pyridinium, 1-[8-[[(2S)-methoxyphenylacetyl]oxy]octyl]-, iodide
CAS Number:
824432-17-9
Molecular Formula:
C22H30INO3
Molecular Weight:
483.3830
IUPAC Name:
8-pyridin-1-ium-1-yloctyl (2S)-2-methoxy-2-phenylacetate;iodide
InChI:
InChI=1S/C22H30NO3.HI/c1-25-21(20-14-8-6-9-15-20)22(24)26-19-13-5-3-2-4-10-16-23-17-11-7-12-18-23;/h6-9,11-12,14-15,17-18,21H,2-5,10,13,16,19H2,1H3;1H/q+1;/p-1/t21-;/m0./s1
InChI Key:
MPIFJIPWUFBTAJ-BOXHHOBZSA-M
SMILES:
CO[C@@H](c1ccccc1)C(=O)OCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
483.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.39g/mol
Monoisotopic Mass:
483.127g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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