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Home > Other Heterocycles > 78130-07-1
78130-07-1 | 1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (Z,Z)-
CAS No: 78130-07-1 Catalog No: AG0054Z9 MDL No:
Product Description
Catalog Number:
AG0054Z9
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-(phenylmethylene)-, oxime, (Z,Z)-
CAS Number:
78130-07-1
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
N-(2-benzylidene-1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine
InChI:
InChI=1S/C14H16N2O/c17-15-14-12-6-8-16(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,17H,6-9H2
InChI Key:
HRIJKLAHYFFWJZ-UHFFFAOYSA-N
SMILES:
O/N=C\1/C2CCN(/C1=C\c1ccccc1)CC2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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