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CAS Number: 13721-01-2
4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structure

4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Name: 4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 13721012
CAS Registry Number: 13721-01-2
Name:
        3-​Quinolinecarboxylic acid, 1,​4-​dihydro-​4-​oxo-
        1,​4-​Dihydro-​4-​oxo-​3-​quinolinecarboxylic acid; 4-​Oxo-​1,​4-​dihydroquinoline-​3-​carboxylic acid; 4-​Quinolone-​3-​carboxylic acid 
 
Chemical Formula: C10H7NO3
Exact Mass: 189.04
Molecular Weight: 189.17
m/z: 189.04 (100.0%), 190.05 (11.0%), 191.05 (1.2%)
Elemental Analysis: C, 63.49; H, 3.73; N, 7.40; O, 25.37
 
InChI: InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey: ILNJBIQQAIIMEY-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 269-270 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 267 °C   (6)IC
Melting Point 245 °C (decomp)   (7)CAS

Specification

98%

References
  1. (1) Zalibera, Lubomir; Magnetic Resonance in Chemistry 1998, V36(9), P681-684 CAPLUS
  2. (2) Banerji, Biswadip; Chemical Communications (Cambridge, United Kingdom) 2005, (43), P5438-5440 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Barbierikova, Zuzana; Journal of Photochemistry and Photobiology, A: Chemistry 2011, V224(1), P123-134 CAPLUS
  5. (5) Grundon, M. F.; Journal of the Chemical Society 1955, P4284-90 CAPLUS
  6. (6) Biere, Helmut; Justus Liebigs Annalen der Chemie 1976, (11), P1972-81 CAPLUS
  7. (7) Markees, Diether G.; Journal of Organic Chemistry 1966, V31(12), P4253-5 CAPLUS
  8. (8) Zieba, Andrzej; Magnetic Resonance in Chemistry 2003, V41(8), P639-640 CAPLUS
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