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89053-54-3 | 4-Oxazolidinone, 2,2-dimethyl-5-phenyl-, (S)-
CAS No: 89053-54-3 Catalog No: AG0041NQ MDL No:
Product Description
Catalog Number:
AG0041NQ
Chemical Name:
4-Oxazolidinone, 2,2-dimethyl-5-phenyl-, (S)-
CAS Number:
89053-54-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
(5S)-2,2-dimethyl-5-phenyl-1,3-oxazolidin-4-one
InChI:
InChI=1S/C11H13NO2/c1-11(2)12-10(13)9(14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,12,13)/t9-/m0/s1
InChI Key:
FEFKVCRLZMSHEM-VIFPVBQESA-N
SMILES:
O=C1NC(O[C@H]1c1ccccc1)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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