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methyl 3-azaspiro[5.5]undecane-9-carboxylate

methyl 3-azaspiro[5.5]undecane-9-carboxylate

CAS: 2005470-92-6

Formula: C12H21NO2

SMILES: COC(=O)C1CCC2(CCNCC2)CC1

IUPAC: methyl 3-azaspiro[5.5]undecane-9-carboxylate

InChI: InChI=1S/C12H21NO2/c1-15-11(14)10-2-4-12(5-3-10)6-8-13-9-7-12/h10,13H,2-9H2,1H3

Composition: C (68.21%), H (10.02%), N (6.63%), O (15.14%)

Molar Mass: 211.305

Atom Count: 36

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 211.15722892
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MLBIAXNHPAIPKK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.87
Topological Polar Surface Area 38.33
Polarizability 23.66
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2005470-92-6 $227.70-$5,612.00$227.70$342.70$572.70$966.00$1,587.00$5,612.00
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