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104266-90-2 | (S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one
CAS No: 104266-90-2 Catalog No: AG00864N MDL No:MFCD09817644
Product Description
Catalog Number:
AG00864N
Chemical Name:
(S)-4-Benzyl-3-(3-methylbutanoyl)oxazolidin-2-one
CAS Number:
104266-90-2
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD09817644
IUPAC Name:
(4S)-4-benzyl-3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H19NO3/c1-11(2)8-14(17)16-13(10-19-15(16)18)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3/t13-/m0/s1
InChI Key:
JHGXEUXQJIKZMY-ZDUSSCGKSA-N
SMILES:
CC(CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C
EC Number:
600-549-1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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