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88330-56-7 | Isoxazolidine, 2-methyl-3-(4-methylphenyl)-5-phenyl-
CAS No: 88330-56-7 Catalog No: AG00483Q MDL No:
Product Description
Catalog Number:
AG00483Q
Chemical Name:
Isoxazolidine, 2-methyl-3-(4-methylphenyl)-5-phenyl-
CAS Number:
88330-56-7
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
2-methyl-3-(4-methylphenyl)-5-phenyl-1,2-oxazolidine
InChI:
InChI=1S/C17H19NO/c1-13-8-10-14(11-9-13)16-12-17(19-18(16)2)15-6-4-3-5-7-15/h3-11,16-17H,12H2,1-2H3
InChI Key:
ADUSZGUGVKQXAH-UHFFFAOYSA-N
SMILES:
CN1OC(CC1c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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