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Alpha-Pyridoin (>80%)

CAT: 0572-TRC-P997258-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P997258-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1141-06-6
Synonyms
Ketone, hydroxy-2-pyridylmethyl 2-pyridyl (6CI,7CI,8CI); 2-Hydroxy-1,2-di-2-pyridinylethanone; 2-Hydroxy-1,2-bis(pyridin-2-yl)ethanone; 2-Pyridoin; NSC 24017; α-Pyridoin
Hazard Statement
No Data Available
Smiles
OC(C(=O)c1ccccn1)c2ccccn2
Molecular Formula
C12 H10 N2 O2
Molecular Weight
214.22
InChI
InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H
Additionnal Information
IUPAC name: 2-hydroxy-1,2-bis(2-pyridyl)ethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

alpha-Pyridoin
CAS Number1141-06-6
PubChem CID95624
IUPAC Name2-hydroxy-1,2-dipyridin-2-ylethanone
Molecular FormulaC12H10N2O2
Molecular Weight214.22
XLogP0.9
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
C1=CC=NC(=C1)C(C(=O)C2=CC=CC=N2)O
InChI
InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H
InChIKey
ZKBDAJDDDOIASC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Pyridoin
CAS: 1141-06-6
CID: 95624
Formula: C12H10N2O2
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass214.074227566
Monoisotopic Mass214.074227566
Topological Polar Surface Area63.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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