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125814-30-4 | 3-Oxazolidinecarboxylic acid, 4-methyl-2,5-dioxo-, 1,1-dimethylethyl ester, (4S)-
CAS No: 125814-30-4 Catalog No: AG000OSA MDL No:MFCD00216673
Product Description
Catalog Number:
AG000OSA
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-methyl-2,5-dioxo-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
125814-30-4
Molecular Formula:
C9H13NO5
Molecular Weight:
215.2032
MDL Number:
MFCD00216673
IUPAC Name:
tert-butyl (4S)-4-methyl-2,5-dioxo-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C9H13NO5/c1-5-6(11)14-7(12)10(5)8(13)15-9(2,3)4/h5H,1-4H3/t5-/m0/s1
InChI Key:
UNPJIXJNLUVVRF-YFKPBYRVSA-N
SMILES:
C[C@H]1C(=O)OC(=O)N1C(=O)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.205g/mol
Monoisotopic Mass:
215.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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