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6-(4-methylphenyl)-2-oxa-4,6-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),3,7,10,12-pentaene-5,9-dione

6-(4-methylphenyl)-2-oxa-4,6-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),3,7,10,12-pentaene-5,9-dione

CAS: 343375-22-4

Formula: C18H12N2O3

SMILES: CC1=CC=C(C=C1)N1C=C2C(OC3=CC=CC=C3C2=O)=NC1=O

IUPAC: 6-(4-methylphenyl)-2-oxa-4,6-diazatricyclo[8.4.0.0³,?]tetradeca-1(14),3,7,10,12-pentaene-5,9-dione

InChI: InChI=1S/C18H12N2O3/c1-11-6-8-12(9-7-11)20-10-14-16(21)13-4-2-3-5-15(13)23-17(14)19-18(20)22/h2-10H,1H3

Composition: C (71.05%), H (3.97%), N (9.21%), O (15.77%)

Molar Mass: 304.305

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 304.084792254
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VJVBRRMHJTWOCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.1
Topological Polar Surface Area 58.97
Polarizability 31.84
Ring Count 4
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 343375-22-4 $51.35-$86.31$51.35$63.37$86.31
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