Cas no 110429-27-1 (2-Quinolinecarboxylicacid, 3-hydroxy-, calcium salt (1:1))
110429-27-1 structure
Product Name:2-Quinolinecarboxylicacid, 3-hydroxy-, calcium salt (1:1)
CAS No:110429-27-1
MF:C10H6CaNO3
MW:228.237541675568
CID:189519
PubChem ID:54695501
Update Time:2025-04-19
2-Quinolinecarboxylicacid, 3-hydroxy-, calcium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Quinolinecarboxylicacid, 3-hydroxy-, calcium salt (1:1)
- 3-hydroxyquinoline-2-carboxylic acid
- calcium,2-carboxyquinolin-3-olate
- 2-quinolinecarboxylate, 3-hydroxy-, calcium salt (1:1)
- 3-HQ-2-CA
- 3-Hydroxyquinoline-2-carboxylic acid calcium salt
- calcium;3-hydroxyquinoline-2-carboxylate
- 110429-27-1
- calcium;2-carboxyquinolin-3-olate
-
- Inchi： 1S/C10H7NO3.Ca/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14;/h1-5,12H,(H,13,14);/q;+2/p-1
- InChI Key： WSKKGFPTQTVGNA-UHFFFAOYSA-M
- SMILES： [Ca+2].[O-]C1=C(C(=O)O)N=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 227.99738
- Monoisotopic Mass: 227.997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 73.2A^2
Experimental Properties
- Density: g/cm3
- Boiling Point: 384.7°Cat760mmHg
- Flash Point: 186.5°C
- PSA: 73.25
2-Quinolinecarboxylicacid, 3-hydroxy-, calcium salt (1:1) Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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