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tert-butyl 1-cyanocyclohexane-1-carboxylate

tert-butyl 1-cyanocyclohexane-1-carboxylate

CAS: 2097068-48-7

Formula: C12H19NO2

SMILES: CC(C)(C)OC(=O)C1(CCCCC1)C#N

IUPAC: tert-butyl 1-cyanocyclohexane-1-carboxylate

InChI: InChI=1S/C12H19NO2/c1-11(2,3)15-10(14)12(9-13)7-5-4-6-8-12/h4-8H2,1-3H3

Composition: C (68.87%), H (9.15%), N (6.69%), O (15.29%)

Molar Mass: 209.289

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 209.141578856
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PSDUFPVOWFMLBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.62
Topological Polar Surface Area 50.09
Polarizability 22.72
Ring Count 1
Rotatable Bond Count 3

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98% <2 Days 2097068-48-7 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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