Cas no 1889940-89-9 (Cinnoline-5-carboxylic acid)
Cinnoline-5-carboxylic acid structure
Product Name:Cinnoline-5-carboxylic acid
CAS No:1889940-89-9
MF:C9H6N2O2
MW:174.156141757965
CID:6628757
PubChem ID:17798124
Update Time:2024-03-01
Cinnoline-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Cinnoline-5-carboxylic acid
- 5-Cinnolinecarboxylic acid
- 1889940-89-9
-
- Inchi： 1S/C9H6N2O2/c12-9(13)7-2-1-3-8-6(7)4-5-10-11-8/h1-5H,(H,12,13)
- InChI Key： SBOYQBCZZDCSSY-UHFFFAOYSA-N
- SMILES： N1=C2C(C(C(O)=O)=CC=C2)=CC=N1
Computed Properties
- Exact Mass: 174.042927438g/mol
- Monoisotopic Mass: 174.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- Density: 1.421±0.06 g/cm3(Predicted)
- Boiling Point: 423.7±37.0 °C(Predicted)
- pka: 0.28±0.10(Predicted)
Cinnoline-5-carboxylic acid Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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