Propanedioic acid, 2-(3-pyridinylmethyl)-, 1,3-diethyl ester

CAS Registry Number®

57477-12-0

CAS Name

Propanedioic acid, 2-(3-pyridinylmethyl)-, 1,3-diethyl ester

Molecular Formula

C13H17NO4

Molecular Mass

251.28

Cite this Page

Propanedioic acid, 2-(3-pyridinylmethyl)-, 1,3-diethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57477-12-0 (retrieved 2024-12-23) (CAS RN: 57477-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    110-115 °C @ Press: 0.5 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H17NO4/c1-3-17-12(15)11(13(16)18-4-2)8-10-6-5-7-14-9-10/h5-7,9,11H,3-4,8H2,1-2H3

InChIKey

InChIKey=GBCNXGKAGMMHMV-UHFFFAOYSA-N

SMILES

C(C(OCC)=O)(C(OCC)=O)CC=1C=CC=NC1

Canonical SMILES

O=C(OCC)C(C(=O)OCC)CC=1C=NC=CC1

Other Names for this Substance

  • Propanedioic acid, 2-(3-pyridinylmethyl)-, 1,3-diethyl ester
  • Propanedioic acid, (3-pyridinylmethyl)-, diethyl ester
  • 1,3-Diethyl 2-(pyridin-3-ylmethyl)propanedioate

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