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Home > Other Heterocycles > 88649-04-1
88649-04-1 | 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-thienylmethylene)-, oxime, (E,E)-
CAS No: 88649-04-1 Catalog No: AG0048ML MDL No:
Product Description
Catalog Number:
AG0048ML
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-one, 2-(2-thienylmethylene)-, oxime, (E,E)-
CAS Number:
88649-04-1
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
IUPAC Name:
N-[2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine
InChI:
InChI=1S/C12H14N2OS/c15-13-12-9-3-5-14(6-4-9)11(12)8-10-2-1-7-16-10/h1-2,7-9,15H,3-6H2
InChI Key:
SYZHFCFAONSHFT-UHFFFAOYSA-N
SMILES:
O/N=C/1\C2CCN(\C1=C\c1cccs1)CC2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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