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Methyl 4-Methoxypicolinate

CAT: 0572-TRC-M338494-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338494-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29681-43-4
Synonyms
4-Methoxypyridine-2-carboxylic Acid Methyl Ester; Methyl 4-(Methyloxy)-2-pyridinecarboxylate; Methyl 4-Methoxy-2-picolinate; Methyl 4-Methoxypicolinate; Methyl 4-Methoxypyridine-2-carboxylate
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COC(=O)c1cc(OC)ccn1
Molecular Formula
C8H9NO3
Molecular Weight
167.16
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl 4-methoxypyridine-2-carboxylate
CAS Number29681-43-4
PubChem CID1519345
IUPAC Namemethyl 4-methoxypyridine-2-carboxylate
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
COC1=CC(=NC=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h3-5H,1-2H3
InChIKey
OJDKENGKKYVJLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-methoxypyridine-2-carboxylate
CAS: 29681-43-4
CID: 1519345
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 Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area48.4 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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