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143654-01-7 | (4S,5R)-4-Methyl-5-phenyl-3-propionyloxazolidin-2-one
CAS No: 143654-01-7 Catalog No: AG003BX5 MDL No:MFCD00278771
Product Description
Catalog Number:
AG003BX5
Chemical Name:
(4S,5R)-4-Methyl-5-phenyl-3-propionyloxazolidin-2-one
CAS Number:
143654-01-7
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD00278771
IUPAC Name:
(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m0/s1
InChI Key:
ZMRFZBKROHCLIL-CABZTGNLSA-N
SMILES:
CCC(=O)N1C(=O)O[C@@H]([C@@H]1C)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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