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2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}phenyl acetate

2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}phenyl acetate

Formula: C19H17NO4

SMILES: CC(=O)OC1=CC=CC=C1N1C(=O)C2C(C3C=CC2C2CC32)C1=O

IUPAC: 2-{3,5-dioxo-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-en-4-yl}phenyl acetate

InChI: InChI=1/C19H17NO4/c1-9(21)24-15-5-3-2-4-14(15)20-18(22)16-10-6-7-11(13-8-12(10)13)17(16)19(20)23/h2-7,10-13,16-17H,8H2,1H3

Composition: C (70.58%), H (5.30%), N (4.33%), O (19.79%)

Molar Mass: 323.348

Atom Count: 41

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 323.115758031
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VPZWUWQRTGEOKA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.74
Topological Polar Surface Area 63.68
Polarizability 33.15
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H17NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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