5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-,(3R,5S,8aR)-


Chemical Name: 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-,(3R,5S,8aR)-
CAS Number: 88056-92-2
Product Number: AG003BB7(AGN-PC-0VIPIG)
Synonyms:
MDL No:
Molecular Formula: C14H16N2O
Molecular Weight: 228.2896

Identification/Properties


Properties
MP:
82℃
Form:
Solid
Computed Properties
Molecular Weight:
228.295g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
228.126g/mol
Monoisotopic Mass:
228.126g/mol
Topological Polar Surface Area:
36.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
315
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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