Cas no 104612-24-0 (7-Isoquinolinecarboxylic acid, 6-hydroxy-, methyl ester)
104612-24-0 structure
Product Name:7-Isoquinolinecarboxylic acid, 6-hydroxy-, methyl ester
CAS No:104612-24-0
MF:C11H9NO3
MW:203.194062948227
CID:1144206
Update Time:2024-07-27
7-Isoquinolinecarboxylic acid, 6-hydroxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 7-Isoquinolinecarboxylic acid, 6-hydroxy-, methyl ester
- methyl 6-hydroxyisoquinoline-7-carboxylate
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- Inchi： 1S/C11H9NO3/c1-15-11(14)9-4-8-6-12-3-2-7(8)5-10(9)13/h2-6,13H,1H3
- InChI Key： HQOMFKIFEJNCTQ-UHFFFAOYSA-N
- SMILES： C1C2=C(C=C(O)C(C(OC)=O)=C2)C=CN=1
Computed Properties
- Exact Mass: 203.05827
Experimental Properties
- Density: 1.327±0.06 g/cm3(Predicted)
- Boiling Point: 357.3±22.0 °C(Predicted)
- PSA: 59.42
- pka: 8.94±0.40(Predicted)
7-Isoquinolinecarboxylic acid, 6-hydroxy-, methyl ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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