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854987-47-6 | Oxazole, 2-(3,3-dimethyloxiranyl)-4,5-dihydro-4-phenyl-, (4S)-
CAS No: 854987-47-6 Catalog No: AG004JQA MDL No:
Product Description
Catalog Number:
AG004JQA
Chemical Name:
Oxazole, 2-(3,3-dimethyloxiranyl)-4,5-dihydro-4-phenyl-, (4S)-
CAS Number:
854987-47-6
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C13H15NO2/c1-13(2)11(16-13)12-14-10(8-15-12)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11?/m1/s1
InChI Key:
NGKKWOJOSPBZNJ-NFJWQWPMSA-N
SMILES:
CC1(C)OC1C1=N[C@H](CO1)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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