Cas no 55086-55-0 (isoquinoline, 3,7-dimethoxy- (9ci))
55086-55-0 structure
Product Name:isoquinoline, 3,7-dimethoxy- (9ci)
CAS No:55086-55-0
MF:C11H11NO2
MW:189.210542917252
CID:943320
PubChem ID:45117039
Update Time:2025-04-19
isoquinoline, 3,7-dimethoxy- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- isoquinoline, 3,7-dimethoxy- (9ci)
- DB-326510
- 55086-55-0
- 3,7-Dimethoxyisoquinoline
- ISOQUINOLINE, 3,7-DIMETHOXY-
-
- Inchi: 1S/C11H11NO2/c1-13-10-4-3-8-6-11(14-2)12-7-9(8)5-10/h3-7H,1-2H3
- InChI Key: JAZCDQHTFHNPIX-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC2C=C(N=CC=2C=1)OC
Computed Properties
- Exact Mass: 189.079
- Monoisotopic Mass: 189.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 186
- 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
- Topological Polar Surface Area: 31.4A^2
- XLogP3: 2.4
isoquinoline, 3,7-dimethoxy- (9ci) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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