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88330-48-7 | Isoxazolidinium, 3-(4-methoxyphenyl)-2,2-dimethyl-5-phenyl-, iodide
CAS No: 88330-48-7 Catalog No: AG0047C8 MDL No:
Product Description
Catalog Number:
AG0047C8
Chemical Name:
Isoxazolidinium, 3-(4-methoxyphenyl)-2,2-dimethyl-5-phenyl-, iodide
CAS Number:
88330-48-7
Molecular Formula:
C18H22INO2
Molecular Weight:
411.2772
IUPAC Name:
3-(4-methoxyphenyl)-2,2-dimethyl-5-phenyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C18H22NO2.HI/c1-19(2)17(14-9-11-16(20-3)12-10-14)13-18(21-19)15-7-5-4-6-8-15;/h4-12,17-18H,13H2,1-3H3;1H/q+1;/p-1
InChI Key:
OMWGJIGKQQDVHO-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1)C1CC(O[N+]1(C)C)c1ccccc1.[I-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.283g/mol
Monoisotopic Mass:
411.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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