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2,6-Pyridinedimethanol

CAT: 1489-PQ0040-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-PQ0040-01Size:1 g
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CAS Number
1195-59-1
Purity
0.98

Chemical Information

2,6-Pyridinedimethanol

structure in first source

CAS Number1195-59-1
PubChem CID70957
IUPAC Name[6-(hydroxymethyl)-2-pyridinyl]methanol
Molecular FormulaC7H9NO2
Molecular Weight139.15
XLogP-0.8
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
C1=CC(=NC(=C1)CO)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-3,9-10H,4-5H2
InChIKey
WWFMINHWJYHXHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Pyridinedimethanol
CAS: 1195-59-1
CID: 70957
Formula: C7H9NO2
MW: 139.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.15
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass139.063328530
Monoisotopic Mass139.063328530
Topological Polar Surface Area53.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.6
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