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653600-78-3 | Oxazolidine, 3,4-dimethyl-2-(4-methylphenyl)-5-phenyl-, (2S,4S,5R)-
CAS No: 653600-78-3 Catalog No: AG006S1R MDL No:
Product Description
Catalog Number:
AG006S1R
Chemical Name:
Oxazolidine, 3,4-dimethyl-2-(4-methylphenyl)-5-phenyl-, (2S,4S,5R)-
CAS Number:
653600-78-3
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
(2S,4S,5R)-3,4-dimethyl-2-(4-methylphenyl)-5-phenyl-1,3-oxazolidine
InChI:
InChI=1S/C18H21NO/c1-13-9-11-16(12-10-13)18-19(3)14(2)17(20-18)15-7-5-4-6-8-15/h4-12,14,17-18H,1-3H3/t14-,17-,18-/m0/s1
InChI Key:
PMCXNOIHCLVZPH-WBAXXEDZSA-N
SMILES:
CN1[C@@H](O[C@@H]([C@@H]1C)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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