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Chemical structure of Methyl nicotinate

GC36593

Methyl nicotinate

Also known as methyl pyridine-3-carboxylate

Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain

ChemicalCAS93-60-7MW137.14FormulaC7H7NO2
CAS number
93-60-7
Molecular weight
137.14
Formula
C7H7NO2
Solubility
DMSO : 27mg/mL
InChIKey
YNBADRVTZLEFNH-UHFFFAOYSA-N
Catalogue number
GC36593
Brand
GLPBIO
Computed properties PubChem CID 7151 · XLogP 0.8 · TPSA 39.2 Ų · H-bond donors 0
XLogP
0.8
TPSA
39.2 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10

SMILES COC(=O)C1=CN=CC=C1

Computed descriptors from PubChem (CID 7151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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