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3,5-bis(pyridin-4-yl)benzoic acid

3,5-bis(pyridin-4-yl)benzoic acid

Formula: C17H12N2O2

SMILES: OC(=O)C1=CC(=CC(=C1)C1=CC=NC=C1)C1=CC=NC=C1

IUPAC: 3,5-bis(pyridin-4-yl)benzoic acid

InChI: InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)

Composition: C (73.90%), H (4.38%), N (10.14%), O (11.58%)

Molar Mass: 276.295

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 276.089877634
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NNTKTJCJOPINGZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.27
Topological Polar Surface Area 63.08
Polarizability 32.82
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C17H12N2O2 $162.69-$1,001.39$162.69$331.93$1,001.39
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98% <10 Days C17H12N2O2 Quote Only
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