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88330-46-5 | Isoxazolidinium, 3-(4-methoxyphenyl)-2,2-dimethyl-5-pentyl-, iodide
CAS No: 88330-46-5 Catalog No: AG0089S8 MDL No:
Product Description
Catalog Number:
AG0089S8
Chemical Name:
Isoxazolidinium, 3-(4-methoxyphenyl)-2,2-dimethyl-5-pentyl-, iodide
CAS Number:
88330-46-5
Molecular Formula:
C17H28INO2
Molecular Weight:
405.3142
IUPAC Name:
3-(4-methoxyphenyl)-2,2-dimethyl-5-pentyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C17H28NO2.HI/c1-5-6-7-8-16-13-17(18(2,3)20-16)14-9-11-15(19-4)12-10-14;/h9-12,16-17H,5-8,13H2,1-4H3;1H/q+1;/p-1
InChI Key:
IWRHTBLWKIHZLP-UHFFFAOYSA-M
SMILES:
CCCCCC1CC([N+](O1)(C)C)c1ccc(cc1)OC.[I-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.32g/mol
Monoisotopic Mass:
405.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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