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6-Phenylpicolinic acid

CAT: 0024-sc-268316ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-268316ASize:250 mg
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CAS Number
39774-28-2

Chemical Information

6-Phenylpyridine-2-carboxylic Acid
CAS Number39774-28-2
PubChem CID2762884
IUPAC Name6-phenylpyridine-2-carboxylic acid
Molecular FormulaC12H9NO2
Molecular Weight199.20
XLogP2.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity224
SMILES
C1=CC=C(C=C1)C2=NC(=CC=C2)C(=O)O
InChI
InChI=1S/C12H9NO2/c14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKey
CXOPUGLYEYDAMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Phenylpyridine-2-carboxylic Acid
CAS: 39774-28-2
CID: 2762884
Formula: C12H9NO2
MW: 199.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.20
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass199.063328530
Monoisotopic Mass199.063328530
Topological Polar Surface Area50.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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