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168297-85-6 | 2-Oxazolidinone, 5,5-dimethyl-4-(phenylmethyl)-, (4S)-
CAS No: 168297-85-6 Catalog No: AG001XZT MDL No:MFCD00674020
Product Description
Catalog Number:
AG001XZT
Chemical Name:
2-Oxazolidinone, 5,5-dimethyl-4-(phenylmethyl)-, (4S)-
CAS Number:
168297-85-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00674020
IUPAC Name:
(4S)-4-benzyl-5,5-dimethyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H15NO2/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)/t10-/m0/s1
InChI Key:
AEEGFEJKONZGOH-JTQLQIEISA-N
SMILES:
O=C1N[C@H](C(O1)(C)C)Cc1ccccc1
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:
2.4
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