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3-Hydroxypyridine-4-carboxaldehyde

CAT: 0572-TRC-H947165-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H947165-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1849-54-3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1cnccc1C=O
Molecular Formula
C6 H5 N O2
Molecular Weight
123.109
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H
Additionnal Information
IUPAC name: 3-hydroxypyridine-4-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy-4-pyridinecarboxaldehyde

complexed with glutamic acid & Tc as possible cholescintigraphic agent

CAS Number1849-54-3
PubChem CID192747
IUPAC Name3-hydroxypyridine-4-carbaldehyde
Molecular FormulaC6H5NO2
Molecular Weight123.11
XLogP0.5
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
C1=CN=CC(=C1C=O)O
InChI
InChI=1S/C6H5NO2/c8-4-5-1-2-7-3-6(5)9/h1-4,9H
InChIKey
NVLPDIRQWJSXLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-4-pyridinecarboxaldehyde
CAS: 1849-54-3
CID: 192747
Formula: C6H5NO2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.032028402
Monoisotopic Mass123.032028402
Topological Polar Surface Area50.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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