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88330-44-3 | Isoxazolidinium, 2,2-dimethyl-3-(4-methylphenyl)-5-pentyl-, iodide
CAS No: 88330-44-3 Catalog No: AG0048AR MDL No:
Product Description
Catalog Number:
AG0048AR
Chemical Name:
Isoxazolidinium, 2,2-dimethyl-3-(4-methylphenyl)-5-pentyl-, iodide
CAS Number:
88330-44-3
Molecular Formula:
C17H28INO
Molecular Weight:
389.3148
IUPAC Name:
2,2-dimethyl-3-(4-methylphenyl)-5-pentyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C17H28NO.HI/c1-5-6-7-8-16-13-17(18(3,4)19-16)15-11-9-14(2)10-12-15;/h9-12,16-17H,5-8,13H2,1-4H3;1H/q+1;/p-1
InChI Key:
MSZLNRPNJOBYCA-UHFFFAOYSA-M
SMILES:
CCCCCC1CC([N+](O1)(C)C)c1ccc(cc1)C.[I-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.321g/mol
Monoisotopic Mass:
389.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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