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1166394-91-7 | 3-Oxazolidinecarboxylic acid, 4-(4-hydroxybutyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-
CAS No: 1166394-91-7 Catalog No: AG000CWQ MDL No:MFCD18206972
Product Description
Catalog Number:
AG000CWQ
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-(4-hydroxybutyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
1166394-91-7
Molecular Formula:
C14H27NO4
Molecular Weight:
273.3685
MDL Number:
MFCD18206972
IUPAC Name:
tert-butyl (4R)-4-(4-hydroxybutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C14H27NO4/c1-13(2,3)19-12(17)15-11(8-6-7-9-16)10-18-14(15,4)5/h11,16H,6-10H2,1-5H3/t11-/m1/s1
InChI Key:
IUEGFZKWBYFGLB-LLVKDONJSA-N
SMILES:
OCCCC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.373g/mol
Monoisotopic Mass:
273.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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