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Home > Other Heterocycles > 105731-48-4
105731-48-4 | 2-Azabicyclo[2.2.2]oct-5-ene, 2-hydroxy-3,3-dimethyl-
CAS No: 105731-48-4 Catalog No: AG007FJK MDL No:
Product Description
Catalog Number:
AG007FJK
Chemical Name:
2-Azabicyclo[2.2.2]oct-5-ene, 2-hydroxy-3,3-dimethyl-
CAS Number:
105731-48-4
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
2-hydroxy-3,3-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
InChI:
InChI=1S/C9H15NO/c1-9(2)7-3-5-8(6-4-7)10(9)11/h3,5,7-8,11H,4,6H2,1-2H3
InChI Key:
VFNJNTQQUAWSLE-UHFFFAOYSA-N
SMILES:
ON1C2CCC(C1(C)C)C=C2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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