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Home > Other Heterocycles > 149944-69-4
149944-69-4 | 1,7-Diazabicyclo[4.2.0]oct-3-en-8-one
CAS No: 149944-69-4 Catalog No: AG001M58 MDL No:
Product Description
Catalog Number:
AG001M58
Chemical Name:
1,7-Diazabicyclo[4.2.0]oct-3-en-8-one
CAS Number:
149944-69-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
1,7-diazabicyclo[4.2.0]oct-3-en-8-one
InChI:
InChI=1S/C6H8N2O/c9-6-7-5-3-1-2-4-8(5)6/h1-2,5H,3-4H2,(H,7,9)
InChI Key:
JKSMNEQYSVALND-UHFFFAOYSA-N
SMILES:
C1C=CCC2N1C(=O)N2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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