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tert-butyl 4-oxo-3-azatricyclo[4.2.1.0²,?]non-7-ene-3-carboxylate

tert-butyl 4-oxo-3-azatricyclo[4.2.1.0²,?]non-7-ene-3-carboxylate

CAS: 1022961-45-0

Formula: C13H17NO3

SMILES: CC(C)(C)OC(=O)N1C2C(C3CC2C=C3)C1=O

IUPAC: tert-butyl 4-oxo-3-azatricyclo[4.2.1.0²,?]non-7-ene-3-carboxylate

InChI: InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-10-8-5-4-7(6-8)9(10)11(14)15/h4-5,7-10H,6H2,1-3H3

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 235.120843411
Formal Charge 0
FSP3 0.69
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IJYPOTKUAMDQOP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.55
Topological Polar Surface Area 46.61
Polarizability 24.25
Ring Count 3
Rotatable Bond Count 2

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95% 1 Day 1022961-45-0 $272.16-$2,857.68$272.16$476.28$952.56$2,857.68
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