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4-phenylpyridine-2,5-dicarboxylic acid

4-phenylpyridine-2,5-dicarboxylic acid

CAS: 59195-28-7

Formula: C13H9NO4

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

IUPAC: 4-phenylpyridine-2,5-dicarboxylic acid

InChI: InChI=1S/C13H9NO4/c15-12(16)10-7-14-11(13(17)18)6-9(10)8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,17,18)

Composition: C (64.20%), H (3.73%), N (5.76%), O (26.31%)

Molar Mass: 243.218

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.053157774
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XFFZVIRSYFJKEX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.18
Topological Polar Surface Area 87.49
Polarizability 25.05
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 59195-28-7 $404.27$404.27
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