Cas no 477250-22-9 (methyl 3-isoquinolin-4-yl-acrylate)
477250-22-9 structure
Product Name:methyl 3-isoquinolin-4-yl-acrylate
CAS No:477250-22-9
MF:C13H11NO2
MW:213.231943368912
CID:931230
PubChem ID:1472267
Update Time:2025-04-19
methyl 3-isoquinolin-4-yl-acrylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-isoquinolin-4-yl-acrylate
- 477250-22-9
- SCHEMBL6071292
- HMS1367E11
- 66417-79-6
- (E)-methyl 3-(isoquinolin-4-yl)acrylate
- Methyl 3-(isoquinolin-4-yl)acrylate
-
- Inchi： 1S/C13H11NO2/c1-16-13(15)7-6-11-9-14-8-10-4-2-3-5-12(10)11/h2-9H,1H3/b7-6+
- InChI Key： PUGNCMWPWJFYCX-VOTSOKGWSA-N
- SMILES： O(C)C(/C=C/C1=CN=CC2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 213.079
- Monoisotopic Mass: 213.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Density: 1.199
- Boiling Point: 377.3°C at 760 mmHg
- Flash Point: 182°C
- Refractive Index: 1.645
- LogP: 2.42100
methyl 3-isoquinolin-4-yl-acrylate Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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