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2-acetyl-9-cyanoacridin-10-ium-10-olate

2-acetyl-9-cyanoacridin-10-ium-10-olate

CAS: 439095-15-5

Formula: C16H10N2O2

SMILES: CC(=O)C1=CC2=C(C#N)C3=CC=CC=C3[N+]([O-])=C2C=C1

IUPAC: 2-acetyl-9-cyanoacridin-10-ium-10-olate

InChI: InChI=1S/C16H10N2O2/c1-10(19)11-6-7-16-13(8-11)14(9-17)12-4-2-3-5-15(12)18(16)20/h2-8H,1H3

Composition: C (73.27%), H (3.84%), N (10.68%), O (12.20%)

Molar Mass: 262.268

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 262.07422757
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KXCIDRGPJGHSRV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.99
Topological Polar Surface Area 67.8
Polarizability 30.54
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439095-15-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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