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147959-19-1 | 3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-(2-oxoethyl)-, 1,1-dimethylethyl ester, (4S)-
CAS No: 147959-19-1 Catalog No: AG001FB4 MDL No:MFCD08234426
Product Description
Catalog Number:
AG001FB4
Chemical Name:
3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-(2-oxoethyl)-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
147959-19-1
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD08234426
IUPAC Name:
tert-butyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h7,9H,6,8H2,1-5H3/t9-/m0/s1
InChI Key:
GAWRNYMYEGSVFV-VIFPVBQESA-N
SMILES:
O=CC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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