Cas no 55706-67-7 ( )
structure
Product Name:
CAS No:55706-67-7
MF:C11H10INO2
MW:315.107075214386
CID:944369
PubChem ID:24192353
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-methylquinolin-1-ium-8-carboxylic acid,iodide
- 8-Carboxy-1-methyl-chinolinium, Jodid
- 8-carboxy-1-methyl-quinolinium, iodide
- NSC138317
- 1-methylquinoline-8-carboxylic acid
- DTXSID40638169
- 55706-67-7
- DS-003114
- 8-Carboxy-1-methylquinolin-1-ium iodide
- NSC-138317
-
-
- Inchi： 1S/C11H9NO2.HI/c1-12-7-3-5-8-4-2-6-9(10(8)12)11(13)14;/h2-7H,1H3;1H
- InChI Key： JVIGQIRJSCJOIC-UHFFFAOYSA-N
- SMILES： [I-].OC(C1=CC=CC2=CC=C[N+](C)=C21)=O
Computed Properties
- Exact Mass: 188.0712
- Monoisotopic Mass: 314.97563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 229
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.2?2
Experimental Properties
- PSA: 41.18
- LogP: -1.63350
Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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