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Ethyl 5-hydroxynicotinate

CAT: 0024-sc-506749Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-506749Size:1 g
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CAS Number
59288-38-9

Chemical Information

Ethyl 5-hydroxynicotinate
CAS Number59288-38-9
PubChem CID910016
IUPAC Nameethyl 5-hydroxypyridine-3-carboxylate
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CCOC(=O)C1=CC(=CN=C1)O
InChI
InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-7(10)5-9-4-6/h3-5,10H,2H2,1H3
InChIKey
LFDNUOROKFFJLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 5-hydroxynicotinate
CAS: 59288-38-9
CID: 910016
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area59.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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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