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2-methylpropyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoate

2-methylpropyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoate

Formula: C20H23NO4

SMILES: CC(C)COC(=O)C1=CC=C(C=C1)N1C(=O)C2C3CCC(C3)C2C1=O

IUPAC: 2-methylpropyl 4-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoate

InChI: InChI=1/C20H23NO4/c1-11(2)10-25-20(24)12-5-7-15(8-6-12)21-18(22)16-13-3-4-14(9-13)17(16)19(21)23/h5-8,11,13-14,16-17H,3-4,9-10H2,1-2H3

Composition: C (70.36%), H (6.79%), N (4.10%), O (18.74%)

Molar Mass: 341.407

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 341.162708225
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BXIWSWYOORMVMG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.97
Topological Polar Surface Area 63.68
Polarizability 35.94
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H23NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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