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4-ethoxy-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8-tetraene

4-ethoxy-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8-tetraene

Formula: C12H15N3O

SMILES: CCOC1=CC=C2N=C3NCCCN3C2=C1

IUPAC: 4-ethoxy-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8-tetraene

InChI: InChI=1S/C12H15N3O/c1-2-16-9-4-5-10-11(8-9)15-7-3-6-13-12(15)14-10/h4-5,8H,2-3,6-7H2,1H3,(H,13,14)

Composition: C (66.34%), H (6.96%), N (19.34%), O (7.36%)

Molar Mass: 217.272

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.121512115
Formal Charge 0
FSP3 0.42
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NXEWSSZMAFJHDP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.64
Topological Polar Surface Area 39.08
Polarizability 24.85
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H15N3O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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