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tert-butyl (1R,4R)-6-oxo-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

tert-butyl (1R,4R)-6-oxo-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

CAS: 2165456-74-4

Formula: C11H18N2O3

SMILES: CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C(=O)N2

IUPAC: tert-butyl (1R,4R)-6-oxo-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

InChI: InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-7-4-5-8(13)9(14)12-7/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1

Composition: C (58.39%), H (8.02%), N (12.38%), O (21.21%)

Molar Mass: 226.276

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 226.131742448
Formal Charge 0
FSP3 0.82
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SSZYMGPMNHLGSJ-HTQZYQBOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.48
Topological Polar Surface Area 58.64
Polarizability 22.71
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2165456-74-4 $373.75-$7,912.00$373.75$631.35$1,147.70$2,162.00$7,912.00
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