Cas no 808118-20-9 (3-Isoquinolinecarboxylicacid, 4-hydroxy-1-methyl-, methyl ester)
808118-20-9 structure
Product Name:3-Isoquinolinecarboxylicacid, 4-hydroxy-1-methyl-, methyl ester
CAS No:808118-20-9
MF:C12H11NO3
MW:217.220643281937
CID:715058
PubChem ID:45097512
Update Time:2025-04-19
3-Isoquinolinecarboxylicacid, 4-hydroxy-1-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylicacid, 4-hydroxy-1-methyl-, methyl ester
- 3-Isoquinolinecarboxylicacid,4-hydroxy-1-methyl-,methylester(9CI)
- methyl 4-hydroxy-1-methylisoquinoline-3-carboxylate
- SCHEMBL521897
- 3-isoquinolinecarboxylic acid,4-hydroxy-1-methyl-,methyl ester
- FGHABUQJLQNESZ-UHFFFAOYSA-N
- 808118-20-9
-
- Inchi： 1S/C12H11NO3/c1-7-8-5-3-4-6-9(8)11(14)10(13-7)12(15)16-2/h3-6,14H,1-2H3
- InChI Key： FGHABUQJLQNESZ-UHFFFAOYSA-N
- SMILES： OC1=C(C(=O)OC)N=C(C)C2C=CC=CC=21
Computed Properties
- Exact Mass: 217.074
- Monoisotopic Mass: 217.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 269
- 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: 59.4A^2
- XLogP3: 2.9
3-Isoquinolinecarboxylicacid, 4-hydroxy-1-methyl-, methyl ester Related Literature
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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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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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