Cas no 74257-25-3 (2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)-)
74257-25-3 structure
Product Name:2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)-
CAS No:74257-25-3
MF:C11H12O4
MW:208.210583686829
CID:556073
Update Time:2024-03-05
2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)-
- 2-Propenoicacid,3-(3,4-dihydroxyphenyl)-,ethylester,(2Z)-(9CI)
- 2-Propenoicacid, 3-(3,4-dihydroxyphenyl)-, ethyl ester, (Z)-
- cis-Caffeic acid ethyl ester
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- Inchi： 1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4-
- InChI Key： WDKYDMULARNCIS-XQRVVYSFSA-N
- SMILES： C(OCC)(=O)/C=C\C1=CC=C(O)C(O)=C1
Computed Properties
- Exact Mass: 208.074
- Monoisotopic Mass: 208.074
- 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: 2.6
- Topological Polar Surface Area: 66.8A^2
2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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
74257-25-3 (2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethyl ester, (2Z)-) Related Products
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- 102-37-4(Ethyl caffeate)
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