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Home > Other Heterocycles > 99803-20-0
99803-20-0 | 1-(2-METHYL-2-AZABICYCLO[2.2.2]OCT-5-EN-6-YL)-ETHANONE
CAS No: 99803-20-0 Catalog No: AG004X7R MDL No:
Product Description
Catalog Number:
AG004X7R
Chemical Name:
1-(2-METHYL-2-AZABICYCLO[2.2.2]OCT-5-EN-6-YL)-ETHANONE
CAS Number:
99803-20-0
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
1-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-6-yl)ethanone
InChI:
InChI=1S/C10H15NO/c1-7(12)9-5-8-3-4-10(9)11(2)6-8/h5,8,10H,3-4,6H2,1-2H3
InChI Key:
DFSHLFSXLBOUOS-UHFFFAOYSA-N
SMILES:
CN1CC2CCC1C(=C2)C(=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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