3-Isoquinolinecarboxylic acid, methyl ester, hydrate (1:1)

CAS Registry Number®

1820735-12-3
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CAS Name

3-Isoquinolinecarboxylic acid, methyl ester, hydrate (1:1)

Molecular Formula

C11H9NO2.H2O

Cite this Page

3-Isoquinolinecarboxylic acid, methyl ester, hydrate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1820735-12-3 (retrieved 2024-08-30) (CAS RN: 1820735-12-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H9NO2.H2O/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10;/h2-7H,1H3;1H2

InChIKey

InChIKey=MGTRAFPYSAGRGH-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC2=C(C=N1)C=CC=C2.O

Canonical SMILES

O=C(OC)C=1N=CC2=CC=CC=C2C1.O

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, methyl ester, hydrate (1:1)