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13-oxa-2,8,10,12,14,16-hexaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(16),3,5,7,9,11,14-heptaene

13-oxa-2,8,10,12,14,16-hexaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(16),3,5,7,9,11,14-heptaene

Formula: C9H4N6O

SMILES: O1N=C2N=C3N=C4C=CC=CN4C3=NC2=N1

IUPAC: 13-oxa-2,8,10,12,14,16-hexaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(16),3,5,7,9,11,14-heptaene

InChI: InChI=1S/C9H4N6O/c1-2-4-15-5(3-1)10-8-9(15)12-7-6(11-8)13-16-14-7/h1-4H

Composition: C (50.95%), H (1.90%), N (39.61%), O (7.54%)

Molar Mass: 212.172

Atom Count: 20

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 212.044658773
Formal Charge 0
FSP3 0
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VYBCDJPSQUSKAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.33
Topological Polar Surface Area 82
Polarizability 19.14
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C9H4N6O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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