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104057-64-9 | 5-Oxazolidinone,3-benzoyl-2-(1,1-dimethylethyl)-4-methyl-, (2S,4S)-
CAS No: 104057-64-9 Catalog No: AG008552 MDL No:
Product Description
Catalog Number:
AG008552
Chemical Name:
5-Oxazolidinone,3-benzoyl-2-(1,1-dimethylethyl)-4-methyl-, (2S,4S)-
CAS Number:
104057-64-9
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
(2S,4S)-3-benzoyl-2-tert-butyl-4-methyl-1,3-oxazolidin-5-one
InChI:
InChI=1S/C15H19NO3/c1-10-13(18)19-14(15(2,3)4)16(10)12(17)11-8-6-5-7-9-11/h5-10,14H,1-4H3/t10-,14-/m0/s1
InChI Key:
VQCFYKBTJKIGNX-HZMBPMFUSA-N
SMILES:
O=C1O[C@H](N([C@H]1C)C(=O)c1ccccc1)C(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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