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Pyridine-3,5-diyldimethanol

CAT: 0926-WAA63651-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-WAA63651-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21636-51-1
MDL Number
MFCD11617170
Smiles
C1=C (C=NC=C1CO) CO
Molecular Formula
C7H9NO2
Molecular Weight
139.15 g/mol
Controlled
No

Chemical Information

Pyridine-3,5-diyldimethanol
CAS Number21636-51-1
PubChem CID20184985
IUPAC Name[5-(hydroxymethyl)-3-pyridinyl]methanol
Molecular FormulaC7H9NO2
Molecular Weight139.15
XLogP-0.9
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
C1=C(C=NC=C1CO)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-1-7(5-10)3-8-2-6/h1-3,9-10H,4-5H2
InChIKey
HYUQKAGYJAFMBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridine-3,5-diyldimethanol
CAS: 21636-51-1
CID: 20184985
Formula: C7H9NO2
MW: 139.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.15
XLogP3-0.9
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

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