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88330-54-5 | Isoxazolidine, 2-methyl-3-(4-methylphenyl)-5-pentyl-
CAS No: 88330-54-5 Catalog No: AG0047CZ MDL No:
Product Description
Catalog Number:
AG0047CZ
Chemical Name:
Isoxazolidine, 2-methyl-3-(4-methylphenyl)-5-pentyl-
CAS Number:
88330-54-5
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
2-methyl-3-(4-methylphenyl)-5-pentyl-1,2-oxazolidine
InChI:
InChI=1S/C16H25NO/c1-4-5-6-7-15-12-16(17(3)18-15)14-10-8-13(2)9-11-14/h8-11,15-16H,4-7,12H2,1-3H3
InChI Key:
PRONIIBUVZJGPR-UHFFFAOYSA-N
SMILES:
CCCCCC1ON(C(C1)c1ccc(cc1)C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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