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2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Formula: C12H9N3O

SMILES: O=C1NC2=CC=CN=C2NC2=C1C=CC=C2

IUPAC: 2,4,9-triazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

InChI: InChI=1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)

Composition: C (68.24%), H (4.29%), N (19.89%), O (7.57%)

Molar Mass: 211.224

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 211.074561922
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MIRBIZDDMSFTKY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.18
Topological Polar Surface Area 54.02
Polarizability 22.44
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C12H9N3O $123.58-$300.12$123.58$300.12
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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H9N3O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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