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37661-60-2 | (S)-N-Cbz-4-methyl-5-oxooxazolidine
CAS No: 37661-60-2 Catalog No: AG003CO2 MDL No:MFCD22423104
Product Description
Catalog Number:
AG003CO2
Chemical Name:
(S)-N-Cbz-4-methyl-5-oxooxazolidine
CAS Number:
37661-60-2
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD22423104
IUPAC Name:
benzyl (4S)-4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C12H13NO4/c1-9-11(14)17-8-13(9)12(15)16-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChI Key:
RPPNACKXIUVYEF-VIFPVBQESA-N
SMILES:
C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1
NSC Number:
608193
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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