Cas no 174873-78-0 (1-Isoquinolinecarboxylic acid, 8-methyl-)
174873-78-0 structure
Product Name:1-Isoquinolinecarboxylic acid, 8-methyl-
CAS No:174873-78-0
MF:C11H9NO2
MW:187.194662809372
CID:1360476
PubChem ID:15264477
Update Time:2025-04-20
1-Isoquinolinecarboxylic acid, 8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarboxylic acid, 8-methyl-
- 174873-78-0
- 8-Methylisoquinoline-1-carboxylic acid
-
- Inchi： 1S/C11H9NO2/c1-7-3-2-4-8-5-6-12-10(9(7)8)11(13)14/h2-6H,1H3,(H,13,14)
- InChI Key： GAWGOZYJORCEKC-UHFFFAOYSA-N
- SMILES： OC(C1C2C(C)=CC=CC=2C=CN=1)=O
Computed Properties
- Exact Mass: 187.06337
- Monoisotopic Mass: 187.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 2.3
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
1-Isoquinolinecarboxylic acid, 8-methyl- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
174873-78-0 (1-Isoquinolinecarboxylic acid, 8-methyl-) Related Products
- 486-73-7(Isoquinoline-1-carboxylic acid)
- 203626-75-9(Isoquinoline-3-carboxylic Acid Hydrate)
- 40609-76-5(4-Methylquinoline-2-carboxylic acid)
- 18088-10-3(4,6-dimethylpyridine-2-carboxylic acid)
- 207399-25-5(Isoquinoline-3-carboxylic Acid Hydrate)
- 18474-57-2(4-Methyl-1H-indole-2-carboxylic acid)
- 6624-49-3(Isoquinoline-3-carboxylic Acid)
- 4021-08-3(4-Methylpyridine-2-carboxylic Acid)
- 499-80-9(2,4-PDCA)
- 207671-42-9(2,4-Pyridinedicarboxylic acid monohydrate)
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