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11-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

11-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

Formula: C14H9N3O3

SMILES: CC1=NC2=C(C(=O)NN2)C2=C1C(=O)OC1=C2C=CC=C1

IUPAC: 11-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.0²,?.0¹³,¹?]heptadeca-1(10),2(7),3,5,11,13(17)-hexaene-9,16-dione

InChI: InChI=1S/C14H9N3O3/c1-6-9-10(11-12(15-6)16-17-13(11)18)7-4-2-3-5-8(7)20-14(9)19/h2-5H,1H3,(H2,15,16,17,18)

Composition: C (62.92%), H (3.39%), N (15.72%), O (17.96%)

Molar Mass: 267.244

Atom Count: 29

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 267.064391162
Formal Charge 0
FSP3 0.07
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OBTLGRNZJBTVAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.39
Topological Polar Surface Area 80.32
Polarizability 27.24
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H9N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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