3-Isoquinolinecarboxylic acid, ethyl ester
CAS Registry Number®
50458-79-2
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CAS Name
3-Isoquinolinecarboxylic acid, ethyl esterMolecular Formula
C12H11NO2Molecular Mass
201.22Cite this Page
3-Isoquinolinecarboxylic acid, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=50458-79-2 (retrieved ) (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 TorrMelting 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
