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17-azatetracyclo[7.7.1.0²,?.0¹?,¹?]heptadeca-2(7),3,5,10(15),11,13-hexaene-4,5,12,13-tetrol

17-azatetracyclo[7.7.1.0²,?.0¹?,¹?]heptadeca-2(7),3,5,10(15),11,13-hexaene-4,5,12,13-tetrol

CAS: 90044-46-5

Formula: C16H15NO4

SMILES: [H]C12CC3=C(C=C(O)C(O)=C3)C([H])(CC3=C1C=C(O)C(O)=C3)N2

IUPAC: 17-azatetracyclo[7.7.1.0²,?.0¹?,¹?]heptadeca-2(7),3,5,10(15),11,13-hexaene-4,5,12,13-tetrol

InChI: InChI=1/C16H15NO4/c18-13-3-7-1-11-10-6-16(21)14(19)4-8(10)2-12(17-11)9(7)5-15(13)20/h3-6,11-12,17-21H,1-2H2

Composition: C (67.36%), H (5.30%), N (4.91%), O (22.43%)

Molar Mass: 285.299

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 285.100107967
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 5
InChIKey FXFLVMCXSZBKTH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.8
Topological Polar Surface Area 92.95
Polarizability 29.62
Ring Count 4
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 90044-46-5 $538.56-$2,069.58$538.56$2,069.58
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