Cas no 68881-60-7 (1-Isoquinolinecarbonitrile, 6,7-dimethoxy-)
68881-60-7 structure
Product Name:1-Isoquinolinecarbonitrile, 6,7-dimethoxy-
CAS No:68881-60-7
MF:C12H10N2O2
MW:214.220002651215
CID:1731564
PubChem ID:12439191
Update Time:2025-04-21
1-Isoquinolinecarbonitrile, 6,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarbonitrile, 6,7-dimethoxy-
- 6,7-dimethoxyisoquinoline-1-carbonitrile
- Oprea1_111938
- 68881-60-7
- DTXSID20498309
-
- Inchi： 1S/C12H10N2O2/c1-15-11-5-8-3-4-14-10(7-13)9(8)6-12(11)16-2/h3-6H,1-2H3
- InChI Key： JWFZIKVNGNGVEI-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2C=CN=C(C#N)C=2C=1)OC
Computed Properties
- Exact Mass: 214.0743
- Monoisotopic Mass: 214.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 286
- 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: 2.1
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.14
1-Isoquinolinecarbonitrile, 6,7-dimethoxy- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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