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463304-45-2 | 2-Oxazolidinone, 3-[(3S)-3-methyl-1-oxoheptyl]-4-phenyl-, (4R)-
CAS No: 463304-45-2 Catalog No: AG0072G4 MDL No:
Product Description
Catalog Number:
AG0072G4
Chemical Name:
2-Oxazolidinone, 3-[(3S)-3-methyl-1-oxoheptyl]-4-phenyl-, (4R)-
CAS Number:
463304-45-2
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
IUPAC Name:
(4R)-3-[(3S)-3-methylheptanoyl]-4-phenyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C17H23NO3/c1-3-4-8-13(2)11-16(19)18-15(12-21-17(18)20)14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3/t13-,15-/m0/s1
InChI Key:
PCJZVYVNRUNANA-ZFWWWQNUSA-N
SMILES:
CCCC[C@@H](CC(=O)N1C(=O)OC[C@H]1c1ccccc1)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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