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

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

CAS: 5690-46-0

Formula: C12H8N2O2

SMILES: NN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23

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

InChI: InChI=1S/C12H8N2O2/c13-14-11(15)8-5-1-3-7-4-2-6-9(10(7)8)12(14)16/h1-6H,13H2

Composition: C (67.92%), H (3.80%), N (13.20%), O (15.08%)

Molar Mass: 212.208

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.058577506
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HXJBFRDWVHNPAS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.25
Topological Polar Surface Area 63.4
Polarizability 23.06
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 5690-46-0 $157.55-$6,762.00$157.55$201.25$286.35$457.70$1,828.50$6,762.00
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