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Home > Other Heterocycles > 159911-00-9
159911-00-9 | 3-Azabicyclo[3.1.0]hexan-2-one
CAS No: 159911-00-9 Catalog No: AG0010V4 MDL No:
Product Description
Catalog Number:
AG0010V4
Chemical Name:
3-Azabicyclo[3.1.0]hexan-2-one
CAS Number:
159911-00-9
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
IUPAC Name:
3-azabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C5H7NO/c7-5-4-1-3(4)2-6-5/h3-4H,1-2H2,(H,6,7)
InChI Key:
KHLMVJUFZYQPEP-UHFFFAOYSA-N
SMILES:
O=C1NCC2C1C2
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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