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N-Boc-nortropinone

CAT: 0013-GTR19245573-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245573-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Boc-nortropinone is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
185099-67-6
Smiles
O=C1C[C@H]2CC[C@@H] (C1) N2C (OC (C) (C) C) =O
Molecular Formula
C12H19NO3
Molecular Weight
225.2842
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate
CAS Number185099-67-6
PubChem CID2794767
IUPAC Nametert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Molecular FormulaC12H19NO3
Molecular Weight225.28
XLogP1.2
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity303
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3
InChIKey
MENILFUADYEXNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-oxo-8-azabicyclo(3.2.1)octane-8-carboxylate
CAS: 185099-67-6
CID: 2794767
Formula: C12H19NO3
MW: 225.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.28
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.13649347
Monoisotopic Mass225.13649347
Topological Polar Surface Area46.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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