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3-azabicyclo[3.1.1]heptan-6-one

3-azabicyclo[3.1.1]heptan-6-one

CAS: 1420793-66-3

Formula: C6H9NO

SMILES: O=C1C2CC1CNC2

IUPAC: 3-azabicyclo[3.1.1]heptan-6-one

InChI: InChI=1/C6H9NO/c8-6-4-1-5(6)3-7-2-4/h4-5,7H,1-3H2

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 111.144

Atom Count: 17

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 111.068413914
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FVNUZDIUQQCLJT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.91
Topological Polar Surface Area 29.1
Polarizability 11.93
Ring Count 2
Rotatable Bond Count 0

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97% <2 Days 1420793-66-3 $457.70-$4,597.70$457.70$687.70$1,147.70$4,597.70
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