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10-amino-13-oxa-9-azatetracyclo[9.8.0.0²,?.0¹?,¹?]nonadeca-1(11),2(8),9,14(19),15,17-hexaen-12-one

10-amino-13-oxa-9-azatetracyclo[9.8.0.0²,?.0¹?,¹?]nonadeca-1(11),2(8),9,14(19),15,17-hexaen-12-one

Formula: C17H16N2O2

SMILES: NC1=NC2=C(CCCCC2)C2=C1C(=O)OC1=C2C=CC=C1

IUPAC: 10-amino-13-oxa-9-azatetracyclo[9.8.0.0²,?.0¹?,¹?]nonadeca-1(11),2(8),9,14(19),15,17-hexaen-12-one

InChI: InChI=1S/C17H16N2O2/c18-16-15-14(10-6-2-1-3-8-12(10)19-16)11-7-4-5-9-13(11)21-17(15)20/h4-5,7,9H,1-3,6,8H2,(H2,18,19)

Composition: C (72.84%), H (5.75%), N (9.99%), O (11.41%)

Molar Mass: 280.327

Atom Count: 37

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 280.121177763
Formal Charge 0
FSP3 0.29
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey URYXWVRUZMNEGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.46
Topological Polar Surface Area 65.21
Polarizability 31.68
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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