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3-ethyl-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

3-ethyl-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

CAS: 2896-23-3

Formula: C14H11NO2

SMILES: CCN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23

IUPAC: 3-ethyl-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C14H11NO2/c1-2-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,2H2,1H3

Composition: C (74.65%), H (4.92%), N (6.22%), O (14.21%)

Molar Mass: 225.247

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 225.078978598
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YATFILGBMGSWTE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.41
Topological Polar Surface Area 37.38
Polarizability 25.32
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2896-23-3 $235.87-$825.55$235.87$412.78$825.55
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