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tert-butyl N-{2H,3H-[1,4]dioxino[2,3-b]pyridin-8-yl}carbamate

tert-butyl N-{2H,3H-[1,4]dioxino[2,3-b]pyridin-8-yl}carbamate

Formula: C12H16N2O4

SMILES: CC(C)(C)OC(=O)NC1=C2OCCOC2=NC=C1

IUPAC: tert-butyl N-{2H,3H-[1,4]dioxino[2,3-b]pyridin-8-yl}carbamate

InChI: InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)14-8-4-5-13-10-9(8)16-6-7-17-10/h4-5H,6-7H2,1-3H3,(H,13,14,15)

Composition: C (57.13%), H (6.39%), N (11.10%), O (25.37%)

Molar Mass: 252.27

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.111007003
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VFEUNDNJZYOFQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.46
Topological Polar Surface Area 69.68
Polarizability 24.91
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C12H16N2O4 Quote Only