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Home > Other Heterocycles > 96093-86-6
96093-86-6 | 2-Oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-benzoyl-, (1R)-
CAS No: 96093-86-6 Catalog No: AG005VL6 MDL No:
Product Description
Catalog Number:
AG005VL6
Chemical Name:
2-Oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-benzoyl-, (1R)-
CAS Number:
96093-86-6
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)methanone
InChI:
InChI=1S/C13H13NO2/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(16-14)9-7-11/h1-6,8,11-12H,7,9H2
InChI Key:
UDSPWWLYUFTTAW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1O[C@@H]2CCC1C=C2
NSC Number:
328357
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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