Cas no 69976-10-9 (3-quinolin-4-yl-acrylic acid ethyl ester)
69976-10-9 structure
Product Name:3-quinolin-4-yl-acrylic acid ethyl ester
CAS No:69976-10-9
MF:C14H13NO2
MW:227.258523702621
CID:974487
PubChem ID:10513487
Update Time:2025-04-19
3-quinolin-4-yl-acrylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-quinolin-4-yl-acrylic acid ethyl ester
- ethyl 3-quinolin-4-ylprop-2-enoate
- 3-(QUINOLIN-4-YL)-ACRYLIC ACID ETHYL ESTER
- AG-G-73060
- CTK5D1632
- ethyl (E)-3-(quinolin-4-yl)acrylate
- ethyl 3-(4-quinolinyl)propenoate
- KB-236935
- SureCN7207768
- Ethyl (2E)-3-(4-quinolinyl)-2-propenoate
- 69976-10-9
- Ethyl 3-(quinolin-4-yl)acrylate
- 448952-61-2
- DTXSID701276087
- SCHEMBL2387138
- 3-quinolin-4-ylacrylic acid ethyl ester
-
- Inchi： 1S/C14H13NO2/c1-2-17-14(16)8-7-11-9-10-15-13-6-4-3-5-12(11)13/h3-10H,2H2,1H3/b8-7+
- InChI Key： RHFRZAJHLZYXMF-BQYQJAHWSA-N
- SMILES： O(CC)C(/C=C/C1C=CN=C2C=CC=CC=12)=O
Computed Properties
- Exact Mass: 227.09469
- Monoisotopic Mass: 227.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 288
- 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: 2.9
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
3-quinolin-4-yl-acrylic acid ethyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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