Cas no 107858-67-3 (4-Cinnolinecarboxylic acid methyl ester)
107858-67-3 structure
Product Name:4-Cinnolinecarboxylic acid methyl ester
CAS No:107858-67-3
MF:C10H8N2O2
MW:188.182722091675
CID:1098207
PubChem ID:13958988
Update Time:2025-04-20
4-Cinnolinecarboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Cinnolinecarboxylic acid methyl ester
- methyl cinnoline-4-carboxylate
- methyl 4-cinnolinecarboxylate
- SCHEMBL640308
- methyl cinnolin-4-carboxylate
- DTXSID30553317
- 107858-67-3
- CLFIQIWPJYLXIZ-UHFFFAOYSA-N
-
- Inchi： 1S/C10H8N2O2/c1-14-10(13)8-6-11-12-9-5-3-2-4-7(8)9/h2-6H,1H3
- InChI Key： CLFIQIWPJYLXIZ-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CN=NC2C=CC=CC1=2)=O
Computed Properties
- Exact Mass: 188.05864
- Monoisotopic Mass: 188.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 1.6
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.08
4-Cinnolinecarboxylic acid methyl ester Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
107858-67-3 (4-Cinnolinecarboxylic acid methyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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