Cas no 146743-95-5 (3-Isoquinolinecarboxylicacid, 6,7-dihydroxy-)
146743-95-5 structure
Product Name:3-Isoquinolinecarboxylicacid, 6,7-dihydroxy-
CAS No:146743-95-5
MF:C10H7NO4
MW:205.166882753372
CID:101047
PubChem ID:135736891
Update Time:2025-04-18
3-Isoquinolinecarboxylicacid, 6,7-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylicacid, 6,7-dihydroxy-
- 7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylic acid
- 3-Isoquinolinecarboxylic acid, 6,7-dihydroxy- (9CI)
- 3-isoquinolinecarboxylic acid,6,7-dihydroxy-
- SCHEMBL9424897
- 146743-95-5
- 6,7-Dihydroxyisoquinoline-3-carboxylic acid
- 7-Hydroxy-6-oxo-2,6-dihydroisoquinoline-3-carboxylic acid
- DTXSID80601559
-
- Inchi： 1S/C10H7NO4/c12-8-2-5-1-7(10(14)15)11-4-6(5)3-9(8)13/h1-4,12-13H,(H,14,15)
- InChI Key： PQOLJBHSFABTRG-UHFFFAOYSA-N
- SMILES： OC1C(=CC2C=NC(C(=O)O)=CC=2C=1)O
Computed Properties
- Exact Mass: 205.03751
- Monoisotopic Mass: 205.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 258
- 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: 1.3
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- PSA: 90.65
3-Isoquinolinecarboxylicacid, 6,7-dihydroxy- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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