Cas no 170621-98-4 (3-Isoquinolinecarboxylicacid,4-methoxy-(9CI))
170621-98-4 structure
Product Name:3-Isoquinolinecarboxylicacid,4-methoxy-(9CI)
CAS No:170621-98-4
MF:C11H9NO3
MW:203.194062948227
CID:111346
PubChem ID:22923801
Update Time:2025-04-18
3-Isoquinolinecarboxylicacid,4-methoxy-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylicacid,4-methoxy-(9CI)
- 4-methoxyisoquinoline-3-carboxylic acid
- 3-isoquinolinecarboxylic acid,4-methoxy-
- SCHEMBL8789401
- 170621-98-4
-
- Inchi: 1S/C11H9NO3/c1-15-10-8-5-3-2-4-7(8)6-12-9(10)11(13)14/h2-6H,1H3,(H,13,14)
- InChI Key: DZMPBAPCCLRUNM-UHFFFAOYSA-N
- SMILES: O(C)C1C(C(=O)O)=NC=C2C=CC=CC2=1
Computed Properties
- Exact Mass: 203.058243149g/mol
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 1.9
- Topological Polar Surface Area: 59.4?2
3-Isoquinolinecarboxylicacid,4-methoxy-(9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
170621-98-4 (3-Isoquinolinecarboxylicacid,4-methoxy-(9CI)) Related Products
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