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Home > Other Heterocycles > 6664-27-3
6664-27-3 | 1,2-Diazabicyclo[3.2.0]hept-3-ene
CAS No: 6664-27-3 Catalog No: AG006JC4 MDL No:
Product Description
Catalog Number:
AG006JC4
Chemical Name:
1,2-Diazabicyclo[3.2.0]hept-3-ene
CAS Number:
6664-27-3
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
IUPAC Name:
1,2-diazabicyclo[3.2.0]hept-3-ene
InChI:
InChI=1S/C5H8N2/c1-3-6-7-4-2-5(1)7/h1,3,5-6H,2,4H2
InChI Key:
JBKBMKCHSNWEGN-UHFFFAOYSA-N
SMILES:
C1=CC2N(N1)CC2
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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