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CAS Number: 5622-34-4
2-(quinolin-6-yl)acetic acid

Structure

2-(quinolin-6-yl)acetic acid
Name: 2-(quinolin-6-yl)acetic acid
Synonyms:
General Information
Product Number: 5622344
CAS Registry Number: 5622-34-4
Name:
6-​Quinolineacetic acid
(Quinolin-​6-​yl)​acetic acid; 2-​(Quinolin-​6-​yl)​acetic acid; 6-​Quinolylacetic acid 
 
Chemical Formula: C11H9NO2
Exact Mass: 187.06
Molecular Weight: 187.19
m/z: 187.06 (100.0%), 188.07 (12.1%), 189.07 (1.1%)
Elemental Analysis: C, 70.58; H, 4.85; N, 7.48; O, 17.09
 
InChI: InChI=1S/C11H9NO2/c13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2,(H,13,14)
InChIKey: CFVILHFXMRQYSG-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C=CC(=C2)CC(=O)O)N=C1
 
Thermal Properties Value Condition Note
Melting Point 225 °C (decomp)   (2)CAS
Melting Point 215-218 °C   (3)CAS
Melting Point 199 °C   (4)CAS

Specification

98%

References
  1. (1) 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.
  2. (2) Kaslow, C. E.; Journal of the American Chemical Society 1955, V77, P1054-5 CAPLUS
  3. (3) Bojarska-Dahlig, Halina; Roczniki Chemii 1965, V39(11), P1611-23 CAPLUS
  4. (4) Moszew, Jan; Roczniki Chemii 1959, V33, P365-70 CAPLUS
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