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89053-55-4 | 4-Oxazolidinone, 2,2-dimethyl-5-(phenylmethyl)-, (S)-
CAS No: 89053-55-4 Catalog No: AG0041DV MDL No:
Product Description
Catalog Number:
AG0041DV
Chemical Name:
4-Oxazolidinone, 2,2-dimethyl-5-(phenylmethyl)-, (S)-
CAS Number:
89053-55-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
(5S)-5-benzyl-2,2-dimethyl-1,3-oxazolidin-4-one
InChI:
InChI=1S/C12H15NO2/c1-12(2)13-11(14)10(15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChI Key:
BFHLIINJXCWHCN-JTQLQIEISA-N
SMILES:
O=C1NC(O[C@H]1Cc1ccccc1)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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