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Home > Other Heterocycles > 95687-88-0
95687-88-0 | 6-Oxa-7-azabicyclo[3.2.2]non-8-ene, 7-benzoyl-
CAS No: 95687-88-0 Catalog No: AG006BSX MDL No:
Product Description
Catalog Number:
AG006BSX
Chemical Name:
6-Oxa-7-azabicyclo[3.2.2]non-8-ene, 7-benzoyl-
CAS Number:
95687-88-0
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
6-oxa-7-azabicyclo[3.2.2]non-8-en-7-yl(phenyl)methanone
InChI:
InChI=1S/C14H15NO2/c16-14(11-5-2-1-3-6-11)15-12-7-4-8-13(17-15)10-9-12/h1-3,5-6,9-10,12-13H,4,7-8H2
InChI Key:
SHDHNGHGIBJBTH-UHFFFAOYSA-N
SMILES:
O=C(N1OC2CCCC1C=C2)c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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