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9,11-dimethyl-8,12-dioxa-3,17-diazatricyclo[11.4.0.0²,?]heptadeca-1(13),2(7),3,5,14,16-hexaene

9,11-dimethyl-8,12-dioxa-3,17-diazatricyclo[11.4.0.0²,?]heptadeca-1(13),2(7),3,5,14,16-hexaene

Formula: C15H16N2O2

SMILES: CC1CC(C)OC2=C(N=CC=C2)C2=C(O1)C=CC=N2

IUPAC: 9,11-dimethyl-8,12-dioxa-3,17-diazatricyclo[11.4.0.0²,?]heptadeca-1(13),2(7),3,5,14,16-hexaene

InChI: InChI=1/C15H16N2O2/c1-10-9-11(2)19-13-6-4-8-17-15(13)14-12(18-10)5-3-7-16-14/h3-8,10-11H,9H2,1-2H3

Composition: C (70.29%), H (6.29%), N (10.93%), O (12.48%)

Molar Mass: 256.305

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 256.121177763
Formal Charge 0
FSP3 0.33
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KXYKYBDKKIXWQY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.8
Topological Polar Surface Area 44.24
Polarizability 29.34
Ring Count 3
Rotatable Bond Count 0

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98% <10 Days C15H16N2O2 Quote Only
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