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194861-99-9 | 5-Oxazolidinemethanol, 3-(1,1-dimethylethyl)-2-phenyl-, (5S)-
CAS No: 194861-99-9 Catalog No: AG0074HK MDL No:
Product Description
Catalog Number:
AG0074HK
Chemical Name:
5-Oxazolidinemethanol, 3-(1,1-dimethylethyl)-2-phenyl-, (5S)-
CAS Number:
194861-99-9
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
[(5S)-3-tert-butyl-2-phenyl-1,3-oxazolidin-5-yl]methanol
InChI:
InChI=1S/C14H21NO2/c1-14(2,3)15-9-12(10-16)17-13(15)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13?/m0/s1
InChI Key:
JERBWURCWWHQBK-UEWDXFNNSA-N
SMILES:
OC[C@H]1OC(N(C1)C(C)(C)C)c1ccccc1
EC Number:
606-322-3
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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