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ethyl 3-oxo-2,6-diazabicyclo[3.2.2]nonane-6-carboxylate

ethyl 3-oxo-2,6-diazabicyclo[3.2.2]nonane-6-carboxylate

CAS: 220828-11-5

Formula: C10H16N2O3

SMILES: CCOC(=O)N1CC2CCC1CC(=O)N2

IUPAC: ethyl 3-oxo-2,6-diazabicyclo[3.2.2]nonane-6-carboxylate

InChI: InChI=1/C10H16N2O3/c1-2-15-10(14)12-6-7-3-4-8(12)5-9(13)11-7/h7-8H,2-6H2,1H3,(H,11,13)

Composition: C (56.59%), H (7.60%), N (13.20%), O (22.61%)

Molar Mass: 212.249

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 212.116092383
Formal Charge 0
FSP3 0.8
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VSPLNJPUUNMAAH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.05
Topological Polar Surface Area 58.64
Polarizability 20.88
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 220828-11-5 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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