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2-Hydroxy-isonicotinic acid

CAT: 0013-GTR19246058-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246058-02Size:25 g
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Description
2-Hydroxy-isonicotinic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
22282-72-0
Smiles
O=C (C (C=CN1) =CC1=O) O
Molecular Formula
C6H5NO3
Molecular Weight
139.1088
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Hydroxyisonicotinic Acid
CAS Number22282-72-0
PubChem CID280756
IUPAC Name2-oxo-1H-pyridine-4-carboxylic acid
Molecular FormulaC6H5NO3
Molecular Weight139.11
XLogP-0.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity239
SMILES
C1=CNC(=O)C=C1C(=O)O
InChI
InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey
BXHCJLRTXPHUGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyisonicotinic Acid
CAS: 22282-72-0
CID: 280756
Formula: C6H5NO3
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.026943022
Monoisotopic Mass139.026943022
Topological Polar Surface Area66.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity239
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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