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16251-45-9 | 2-Oxazolidinone, 4-methyl-5-phenyl-, (4S,5R)-
CAS No: 16251-45-9 Catalog No: AG001T7G MDL No:MFCD00066226
Product Description
Catalog Number:
AG001T7G
Chemical Name:
2-Oxazolidinone, 4-methyl-5-phenyl-, (4S,5R)-
CAS Number:
16251-45-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00066226
IUPAC Name:
(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)/t7-,9-/m0/s1
InChI Key:
PPIBJOQGAJBQDF-CBAPKCEASA-N
SMILES:
C[C@@H]1NC(=O)O[C@@H]1c1ccccc1
UNII:
4KSX5DI61K
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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