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7,16-dimethyl-4,13-dioxa-2,6,11,15-tetraazatricyclo[12.4.0.0?,¹?]octadeca-1(14),5(10),6,8,15,17-hexaene-3,12-dione

7,16-dimethyl-4,13-dioxa-2,6,11,15-tetraazatricyclo[12.4.0.0?,¹?]octadeca-1(14),5(10),6,8,15,17-hexaene-3,12-dione

Formula: C14H12N4O4

SMILES: CC1=NC2=C(NC(=O)OC3=C(NC(=O)O2)C=CC(C)=N3)C=C1

IUPAC: 7,16-dimethyl-4,13-dioxa-2,6,11,15-tetraazatricyclo[12.4.0.0?,¹?]octadeca-1(14),5(10),6,8,15,17-hexaene-3,12-dione

InChI: InChI=1S/C14H12N4O4/c1-7-3-5-9-11(15-7)21-13(19)18-10-6-4-8(2)16-12(10)22-14(20)17-9/h3-6H,1-2H3,(H,17,20)(H,18,19)

Composition: C (56.00%), H (4.03%), N (18.66%), O (21.31%)

Molar Mass: 300.274

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.085854882
Formal Charge 0
FSP3 0.14
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey GGFCGUXXSFUHKN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.02
Topological Polar Surface Area 102.44
Polarizability 28.47
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
95% <9 Days C14H12N4O4 $339.25-$1,017.75$339.25$1,017.75
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