Cas no 81069-40-1 (2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)-)
![2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)- structure](https://ossimg.kuujia.com/scimg/81500/81069-40-1x500.png)
81069-40-1 structure
Product Name:2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)-
CAS No:81069-40-1
MF:C13H14O4
MW:234.247864246368
CID:1804396
PubChem ID:12770610
Update Time:2025-04-21
2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)-
- ethyl (E)-3-(2-acetyloxyphenyl)prop-2-enoate
- SCHEMBL11263148
- 2-Acetoxycinnamic acid ethyl ester
- Ethyl (E)-3-(2-acetoxyphenyl)acrylate
- 81069-40-1
-
- Inchi： 1S/C13H14O4/c1-3-16-13(15)9-8-11-6-4-5-7-12(11)17-10(2)14/h4-9H,3H2,1-2H3/b9-8+
- InChI Key： POICHNAROFCHAS-CMDGGOBGSA-N
- SMILES： O(C(C)=O)C1C=CC=CC=1/C=C/C(=O)OCC
Computed Properties
- Exact Mass: 234.08920892g/mol
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 296
- 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: 2.3
- Topological Polar Surface Area: 52.6?2
2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, ethyl ester, (E)- 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
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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