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117408-99-8 | Pyridine, 2-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-
CAS No: 117408-99-8 Catalog No: AG000E9Y MDL No:
Product Description
Catalog Number:
AG000E9Y
Chemical Name:
Pyridine, 2-[(4R)-4,5-dihydro-4-phenyl-2-oxazolyl]-
CAS Number:
117408-99-8
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
(4S)-4-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C14H12N2O/c1-2-6-11(7-3-1)13-10-17-14(16-13)12-8-4-5-9-15-12/h1-9,13H,10H2/t13-/m1/s1
InChI Key:
FGWZWSGZIWCUFZ-CYBMUJFWSA-N
SMILES:
c1ccc(cc1)[C@@H]1COC(=N1)c1ccccn1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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