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4-(2-ethylphenyl)-4-azatricyclo[5.2.2.0²,?]undec-8-ene-3,5-dione

4-(2-ethylphenyl)-4-azatricyclo[5.2.2.0²,?]undec-8-ene-3,5-dione

Formula: C18H19NO2

SMILES: CCC1=CC=CC=C1N1C(=O)C2C(C3CCC2C=C3)C1=O

IUPAC: 4-(2-ethylphenyl)-4-azatricyclo[5.2.2.0²,?]undec-8-ene-3,5-dione

InChI: InChI=1/C18H19NO2/c1-2-11-5-3-4-6-14(11)19-17(20)15-12-7-8-13(10-9-12)16(15)18(19)21/h3-8,12-13,15-16H,2,9-10H2,1H3

Composition: C (76.84%), H (6.81%), N (4.98%), O (11.37%)

Molar Mass: 281.355

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 281.141578856
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SHKMCSILPLDXRP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.56
Topological Polar Surface Area 37.38
Polarizability 31.18
Ring Count 4
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H19NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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