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4-(4-acetylphenyl)-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

4-(4-acetylphenyl)-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

Formula: C17H17NO3

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

IUPAC: 4-(4-acetylphenyl)-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

InChI: InChI=1/C17H17NO3/c1-9(19)10-4-6-13(7-5-10)18-16(20)14-11-2-3-12(8-11)15(14)17(18)21/h4-7,11-12,14-15H,2-3,8H2,1H3

Composition: C (72.07%), H (6.05%), N (4.94%), O (16.94%)

Molar Mass: 283.327

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 283.120843411
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BSWHHNBIZXIVOP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.6
Topological Polar Surface Area 54.45
Polarizability 29.72
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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