Cas no 180694-42-2 (2-Propenoic acid,3-(2,3-dihydroxyphenyl)-, ethyl ester, (2E)-)
180694-42-2 structure
Product Name:2-Propenoic acid,3-(2,3-dihydroxyphenyl)-, ethyl ester, (2E)-
CAS No:180694-42-2
MF:C11H12O4
MW:208.210583686829
CID:113508
PubChem ID:15304583
Update Time:2025-04-18
2-Propenoic acid,3-(2,3-dihydroxyphenyl)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(2,3-dihydroxyphenyl)-, ethyl ester, (2E)-
- 2-Propenoicacid,3-(2,3-dihydroxyphenyl)-,ethylester,(2E)-(9CI)
- ethyl (E)-3-(2,3-dihydroxyphenyl)prop-2-enoate
- 180694-42-2
-
- Inchi： 1S/C11H12O4/c1-2-15-10(13)7-6-8-4-3-5-9(12)11(8)14/h3-7,12,14H,2H2,1H3/b7-6+
- InChI Key： ZZYJOKQNMBINSS-VOTSOKGWSA-N
- SMILES： O(C(/C=C/C1C=CC=C(C=1O)O)=O)CC
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 237
- 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: 1.9
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid,3-(2,3-dihydroxyphenyl)-, ethyl ester, (2E)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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