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154131-65-4 | Pyridine, 3-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS No: 154131-65-4 Catalog No: AG007XRJ MDL No:
Product Description
Catalog Number:
AG007XRJ
Chemical Name:
Pyridine, 3-(4,5-dihydro-5-phenyl-3-isoxazolyl)-
CAS Number:
154131-65-4
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
5-phenyl-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)14-9-13(16-17-14)12-7-4-8-15-10-12/h1-8,10,14H,9H2
InChI Key:
SYCIBYJUPBHOCG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1ON=C(C1)c1cccnc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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