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88059-18-1 | Morpholinium, 4-methyl-4-[2-[[(phenylmethoxy)acetyl]oxy]ethyl]-, iodide
CAS No: 88059-18-1 Catalog No: AG004IEI MDL No:
Product Description
Catalog Number:
AG004IEI
Chemical Name:
Morpholinium, 4-methyl-4-[2-[[(phenylmethoxy)acetyl]oxy]ethyl]-, iodide
CAS Number:
88059-18-1
Molecular Formula:
C16H24INO4
Molecular Weight:
421.2705
IUPAC Name:
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-phenylmethoxyacetate;iodide
InChI:
InChI=1S/C16H24NO4.HI/c1-17(7-10-19-11-8-17)9-12-21-16(18)14-20-13-15-5-3-2-4-6-15;/h2-6H,7-14H2,1H3;1H/q+1;/p-1
InChI Key:
KKUHUXKUKNZRPR-UHFFFAOYSA-M
SMILES:
O=C(OCC[N+]1(C)CCOCC1)COCc1ccccc1.[I-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.275g/mol
Monoisotopic Mass:
421.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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