3-Pyridinecarboxylic acid, 1-methylethyl ester, 1-oxide

CAS Registry Number®

98996-36-2

CAS Name

3-Pyridinecarboxylic acid, 1-methylethyl ester, 1-oxide

Molecular Formula

C9H11NO3

Molecular Mass

181.19

Cite this Page

3-Pyridinecarboxylic acid, 1-methylethyl ester, 1-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98996-36-2 (retrieved 2025-01-10) (CAS RN: 98996-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H11NO3/c1-7(2)13-9(11)8-4-3-5-10(12)6-8/h3-7H,1-2H3

InChIKey

InChIKey=LFKZBPMRPGGIES-UHFFFAOYSA-N

SMILES

C(OC(C)C)(=O)C1=CN(=O)=CC=C1

Canonical SMILES

O=C(OC(C)C)C1=CC=CN(=O)=C1

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 1-methylethyl ester, 1-oxide
  • Nicotinic acid, isopropyl ester, 1-oxide

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