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88330-45-4 | Isoxazolidinium, 5-butyl-3-(4-methoxyphenyl)-2,2-dimethyl-, iodide
CAS No: 88330-45-4 Catalog No: AG00483R MDL No:
Product Description
Catalog Number:
AG00483R
Chemical Name:
Isoxazolidinium, 5-butyl-3-(4-methoxyphenyl)-2,2-dimethyl-, iodide
CAS Number:
88330-45-4
Molecular Formula:
C16H26INO2
Molecular Weight:
391.2876
IUPAC Name:
5-butyl-3-(4-methoxyphenyl)-2,2-dimethyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C16H26NO2.HI/c1-5-6-7-15-12-16(17(2,3)19-15)13-8-10-14(18-4)11-9-13;/h8-11,15-16H,5-7,12H2,1-4H3;1H/q+1;/p-1
InChI Key:
ATCJSALEQZTPGR-UHFFFAOYSA-M
SMILES:
CCCCC1CC([N+](O1)(C)C)c1ccc(cc1)OC.[I-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.293g/mol
Monoisotopic Mass:
391.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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