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CAS Number: 86-68-0
6-methoxyquinoline-4-carboxylic acid

Structure

6-methoxyquinoline-4-carboxylic acid
Name: 6-methoxyquinoline-4-carboxylic acid
Synonyms:
General Information
Product Number: 86680
CAS Number:
86-68-0
Name:
4-Quinolinecarboxylicacid, 6-methoxy-
Synonyms:
Cinchoninicacid, 6-methoxy- (6CI,7CI,8CI);6-Methoxy-4-quinolinecarboxylic acid;6-Methoxycinchoninic acid;NSC 403610;Quininic acid;
Chemical Formula: C11H9NO3
Exact Mass: 203.06
Molecular Weight: 203.19
m/z: 203.06 (100.0%), 204.06 (12.5%), 205.06 (1.3%)
Elemental Analysis: C, 65.02; H, 4.46; N, 6.89; O, 23.62
InChI: InChI=1S/C11H9NO3/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10/h2-6H,1H3,
(H,13,14)
InChIKey: XXLFLUJXWKXUGS-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=CN=C2C=C1)C(=O)O
 
 
Thermal Properties Value Condition Note
Melting Point 285 °C (decomp)   (4)CAS
Melting Point 280 °C (decomp)   (5)SRC
Melting Point 279-280 °C   (6)CAS
Melting Point 275 °C (decomp)   (7)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (3) Illa, Ona; Journal of the American Chemical Society 2010, V132(6), P1828-1830 CAPLUS
  4. (4) Thielepape, Ernst; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1939, V72B, P1432-43 CAPLUS
  5. (5) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  6. (6) Walker, James; Journal of the Chemical Society 1947, P1684-7 CAPLUS
  7. (7) Reyman, Jan; Bulletin International de l'Academie Polonaise des Sciences et des Lettres, Classe des Sciences Mathematiques et Naturelles, Serie A: Sciences Mathematiques 1935, P360-73 CAPLUS
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