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88337-83-1 | Isoxazolidine, 5-butyl-3-(4-methoxyphenyl)-2-methyl-
CAS No: 88337-83-1 Catalog No: AG0047X0 MDL No:
Product Description
Catalog Number:
AG0047X0
Chemical Name:
Isoxazolidine, 5-butyl-3-(4-methoxyphenyl)-2-methyl-
CAS Number:
88337-83-1
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
5-butyl-3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidine
InChI:
InChI=1S/C15H23NO2/c1-4-5-6-14-11-15(16(2)18-14)12-7-9-13(17-3)10-8-12/h7-10,14-15H,4-6,11H2,1-3H3
InChI Key:
MGTBPALGPYDIPU-UHFFFAOYSA-N
SMILES:
CCCCC1ON(C(C1)c1ccc(cc1)OC)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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