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147959-18-0 | 3-Oxazolidinecarboxylic acid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-
CAS No: 147959-18-0 Catalog No: AG001FB5 MDL No:MFCD08234429
Product Description
Catalog Number:
AG001FB5
Chemical Name:
3-Oxazolidinecarboxylic acid, 4-(2-hydroxyethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
147959-18-0
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD08234429
IUPAC Name:
tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChI Key:
ZJICPKTZDLBRQH-VIFPVBQESA-N
SMILES:
OCC[C@H]1COC(N1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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