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Home > Other Heterocycles > 122883-12-9
122883-12-9 | 1,4-Diazabicyclo[2.2.2]oct-2-ene
CAS No: 122883-12-9 Catalog No: AG000JOK MDL No:
Product Description
Catalog Number:
AG000JOK
Chemical Name:
1,4-Diazabicyclo[2.2.2]oct-2-ene
CAS Number:
122883-12-9
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
IUPAC Name:
1,4-diazabicyclo[2.2.2]oct-2-ene
InChI:
InChI=1S/C6H10N2/c1-2-8-5-3-7(1)4-6-8/h1-2H,3-6H2
InChI Key:
YERVGFUGFCFVBV-UHFFFAOYSA-N
SMILES:
C1CN2CCN1C=C2
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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