3-Isoquinolinecarboxylic acid, ethyl ester

CAS Registry Number®

50458-79-2

CAS Name

3-Isoquinolinecarboxylic acid, ethyl ester

Molecular Formula

C12H11NO2

Molecular Mass

201.22

Cite this Page

3-Isoquinolinecarboxylic acid, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50458-79-2 (retrieved 2024-11-24) (CAS RN: 50458-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    165-170 °C @ Press: 2 Torr

  • Melting Point (1)

    40-46 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3

InChIKey

InChIKey=IFSCYCNNAIADLI-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC2=C(C=N1)C=CC=C2

Canonical SMILES

O=C(OCC)C=1N=CC2=CC=CC=C2C1

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, ethyl ester
  • Ethyl 3-isoquinolinecarboxylate

CAS INSIGHTSTM
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