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3-(pyridin-3-yl)benzoic acid

3-(pyridin-3-yl)benzoic acid

CAS: 4385-77-7

Formula: C12H9NO2

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

IUPAC: 3-(pyridin-3-yl)benzoic acid

InChI: InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)

Composition: C (72.35%), H (4.55%), N (7.03%), O (16.06%)

Molar Mass: 199.209

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 199.063328534
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PXASTGBSGPFLFJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.29
Topological Polar Surface Area 50.19
Polarizability 22.71
Ring Count 2
Rotatable Bond Count 2

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