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tert-butyl 10-oxa-4,5,12-triazatricyclo[6.3.1.0²,?]dodeca-2,5-diene-12-carboxylate

tert-butyl 10-oxa-4,5,12-triazatricyclo[6.3.1.0²,?]dodeca-2,5-diene-12-carboxylate

CAS: 1311183-41-1

Formula: C13H19N3O3

SMILES: CC(C)(C)OC(=O)N1C2COCC1C1=CNN=C1C2

IUPAC: tert-butyl 10-oxa-4,5,12-triazatricyclo[6.3.1.0²,?]dodeca-2,5-diene-12-carboxylate

InChI: InChI=1/C13H19N3O3/c1-13(2,3)19-12(17)16-8-4-10-9(5-14-15-10)11(16)7-18-6-8/h5,8,11H,4,6-7H2,1-3H3,(H,14,15)

Composition: C (58.85%), H (7.22%), N (15.84%), O (18.09%)

Molar Mass: 265.313

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 265.142641484
Formal Charge 0
FSP3 0.69
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GSDNCOULAPQMCD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.14
Topological Polar Surface Area 67.45
Polarizability 26.74
Ring Count 3
Rotatable Bond Count 2

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95% 1 Day 1311183-41-1 $442.26-$1,651.10$442.26$825.55$1,651.10
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