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Ethyl 2-picolinate

CAT: 0024-sc-239896Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239896Size:25 g
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CAS Number
2524-52-9

Chemical Information

Ethyl 2-pyridinecarboxylate
CAS Number2524-52-9
PubChem CID17307
IUPAC Nameethyl pyridine-2-carboxylate
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP0.9
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CCOC(=O)C1=CC=CC=N1
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKey
FQYYIPZPELSLDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-pyridinecarboxylate
CAS: 2524-52-9
CID: 17307
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight151.16
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
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