Cas no 709007-51-2 (2-Propenoic acid,3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)-)
709007-51-2 structure
Product Name:2-Propenoic acid,3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)-
CAS No:709007-51-2
MF:C11H12O5
MW:224.209983825684
CID:557761
PubChem ID:24816381
Update Time:2025-04-19
2-Propenoic acid,3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)-
- Ethyltrans-3,4,5-trihydroxycinnamate
- 2-Propenoic acid, 3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)- (9CI)
- 709007-51-2
- trans-ethyl 3-(3,4,5-trihydroxyphenyl)-2-propenoate
- CHEMBL2337631
- Ethyl (2E)-3-(3,4,5-trihydroxyphenyl)-2-propenoate
- DTXSID901230031
-
- Inchi： 1S/C11H12O5/c1-2-16-10(14)4-3-7-5-8(12)11(15)9(13)6-7/h3-6,12-13,15H,2H2,1H3/b4-3+
- InChI Key： IBBPTXFHLRTGAW-ONEGZZNKSA-N
- SMILES： CCOC(/C=C/C1C=C(O)C(O)=C(O)C=1)=O
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 251
- 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
- Topological Polar Surface Area: 87A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 86.99
2-Propenoic acid,3-(3,4,5-trihydroxyphenyl)-, ethyl ester, (2E)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Coumaric acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Coumaric acids and derivatives
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