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113806-28-3 | 5-Oxazolidinone, 3-benzoyl-4-methyl-2-phenyl-, (2R,4S)-
CAS No: 113806-28-3 Catalog No: AG0009QU MDL No:
Product Description
Catalog Number:
AG0009QU
Chemical Name:
5-Oxazolidinone, 3-benzoyl-4-methyl-2-phenyl-, (2R,4S)-
CAS Number:
113806-28-3
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
(2R,4S)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
InChI:
InChI=1S/C17H15NO3/c1-12-17(20)21-16(14-10-6-3-7-11-14)18(12)15(19)13-8-4-2-5-9-13/h2-12,16H,1H3/t12-,16+/m0/s1
InChI Key:
XWBOGYZALFWLOF-BLLLJJGKSA-N
SMILES:
C[C@H]1C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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