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Home > Other Heterocycles > 86979-09-1
86979-09-1 | Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-, oxime
CAS No: 86979-09-1 Catalog No: AG004HFI MDL No:
Product Description
Catalog Number:
AG004HFI
Chemical Name:
Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-, oxime
CAS Number:
86979-09-1
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
N-[1-azabicyclo[2.2.2]octan-3-yl(phenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C14H18N2O/c17-15-14(12-4-2-1-3-5-12)13-10-16-8-6-11(13)7-9-16/h1-5,11,13,17H,6-10H2
InChI Key:
AVSQUTXTIYHZOP-UHFFFAOYSA-N
SMILES:
ON=C(c1ccccc1)C1CN2CCC1CC2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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