Cas no 130292-81-8 (Acetic acid,2-(5-isoquinolinyloxy)-, methyl ester)
130292-81-8 structure
Product Name:Acetic acid,2-(5-isoquinolinyloxy)-, methyl ester
CAS No:130292-81-8
MF:C13H13NO3
MW:231.247223615646
CID:102703
PubChem ID:12902789
Update Time:2025-04-18
Acetic acid,2-(5-isoquinolinyloxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(5-isoquinolinyloxy)-, methyl ester
- ethyl 2-isoquinolin-5-yloxyacetate
- methyl 2-(isoquinolin-5-yloxy)acetate
- (isoquinolin-5-yloxy)-acetic acid ethyl ester
- Acetic acid, (5-isoquinolinyloxy)-, Methyl ester
- ethyl 5-isoquinolyl-oxyacetate
- E86995
- 80278-26-8
- Ethyl [(isoquinolin-5-yl)oxy]acetate
- 130292-81-8
- ethyl 5-isoquinolyloxyacetate
- UIPMSQCRENDMKW-UHFFFAOYSA-N
- DTXSID80512590
- SCHEMBL6999173
-
- Inchi： 1S/C13H13NO3/c1-2-16-13(15)9-17-12-5-3-4-10-8-14-7-6-11(10)12/h3-8H,2,9H2,1H3
- InChI Key： UIPMSQCRENDMKW-UHFFFAOYSA-N
- SMILES： O(CC(=O)OCC)C1=CC=CC2C=NC=CC=21
Computed Properties
- Exact Mass: 231.08954328g/mol
- Monoisotopic Mass: 231.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 257
- 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: 2.4
- Topological Polar Surface Area: 48.4?2
Experimental Properties
- Density: 1.225±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.7 g/l) (25 o C),
Acetic acid,2-(5-isoquinolinyloxy)-, methyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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