Cas no 921761-13-9 (7-Isoquinolinecarboxylic acid, 1,5-dimethoxy-)
921761-13-9 structure
Product Name:7-Isoquinolinecarboxylic acid, 1,5-dimethoxy-
CAS No:921761-13-9
MF:C12H11NO4
MW:233.220043420792
CID:743375
PubChem ID:57440899
Update Time:2025-04-19
7-Isoquinolinecarboxylic acid, 1,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 7-Isoquinolinecarboxylic acid, 1,5-dimethoxy-
- 1,5-dimethoxyisoquinoline-7-carboxylic acid
- 921761-13-9
- DTXSID70726462
- SCHEMBL1811992
-
- Inchi： 1S/C12H11NO4/c1-16-10-6-7(12(14)15)5-9-8(10)3-4-13-11(9)17-2/h3-6H,1-2H3,(H,14,15)
- InChI Key： YOFFMFHMCISVEK-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C(=O)O)=CC2C(=NC=CC=21)OC
Computed Properties
- Exact Mass: 233.06880783g/mol
- Monoisotopic Mass: 233.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 284
- 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: 68.6?2
7-Isoquinolinecarboxylic acid, 1,5-dimethoxy- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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