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Home > Other Heterocycles > 115022-87-2
115022-87-2 | 1-Azabicyclo[3.2.0]heptane-2,7-dione
CAS No: 115022-87-2 Catalog No: AG000FPJ MDL No:
Product Description
Catalog Number:
AG000FPJ
Chemical Name:
1-Azabicyclo[3.2.0]heptane-2,7-dione
CAS Number:
115022-87-2
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
1-azabicyclo[3.2.0]heptane-2,7-dione
InChI:
InChI=1S/C6H7NO2/c8-5-2-1-4-3-6(9)7(4)5/h4H,1-3H2
InChI Key:
RYSCOYFDWGVGMC-UHFFFAOYSA-N
SMILES:
O=C1CCC2N1C(=O)C2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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