Cas no 179694-77-0 (2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)-)
179694-77-0 structure
Product Name:2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)-
CAS No:179694-77-0
MF:C11H10O4
MW:206.194703578949
CID:113251
PubChem ID:11127419
Update Time:2025-04-18
2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)- (9CI)
- Ethenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- ethenyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- caffeic acid vinyl ester
- Vinyl caffeate
- CHEBI:174026
- 179694-77-0
-
- Inchi： 1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+
- InChI Key： XVCVDNKCUNGTRP-GQCTYLIASA-N
- SMILES： OC1=C(C=CC(/C=C/C(=O)OC=C)=C1)O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 259
- 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
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, ethenyl ester, (2E)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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