Cas no 94726-23-5 (3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester)
94726-23-5 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester
CAS No:94726-23-5
MF:C12H11NO2
MW:201.221243143082
CID:752138
PubChem ID:13169203
Update Time:2025-04-19
3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester
- methyl 1-methylisoquinoline-3-carboxylate
- DTXSID20524399
- 94726-23-5
- SCHEMBL10066660
-
- Inchi： 1S/C12H11NO2/c1-8-10-6-4-3-5-9(10)7-11(13-8)12(14)15-2/h3-7H,1-2H3
- InChI Key： YWTWAKSULFKWRY-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC2C=CC=CC=2C(C)=N1)=O
Computed Properties
- Exact Mass: 201.078978594g/mol
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- 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: 2.7
- Topological Polar Surface Area: 39.2?2
3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester 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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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
94726-23-5 (3-Isoquinolinecarboxylic acid, 1-methyl-, methyl ester) Related Products
- 19575-07-6(Methyl quinoline-2-carboxylate)
- 50458-79-2(Ethyl Isoquinoline-3-carboxylate)
- 5453-67-8(2,6-dimethyl pyridine-2,6-dicarboxylate)
- 69950-65-8(Methyl 6-formylpyridine-2-carboxylate)
- 39977-44-1(methyl 6-(hydroxymethyl)pyridine-2-carboxylate)
- 27104-73-0(Methyl isoquinoline-3-carboxylate)
- 27104-72-9(Methyl isoquinoline-1-carboxylate)
- 2459-07-6(methyl pyridine-2-carboxylate)
- 7170-36-7(6-(methoxycarbonyl)pyridine-2-carboxylic acid)
- 13602-11-4(Methyl 6-methylpyridine-2-carboxylate)
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