Cas no 618455-80-4 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, decyl ester, (2E)-)
618455-80-4 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, decyl ester, (2E)-
CAS No:618455-80-4
MF:C19H28O4
MW:320.423226356506
CID:1630530
PubChem ID:71391747
Update Time:2025-04-21
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, decyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, decyl ester, (2E)-
- decyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- DTXSID00813576
- 618455-80-4
-
- Inchi： 1S/C19H28O4/c1-2-3-4-5-6-7-8-9-14-23-19(22)13-11-16-10-12-17(20)18(21)15-16/h10-13,15,20-21H,2-9,14H2,1H3
- InChI Key： INKXBBFEJTVQBM-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=C(C=1)O)O)=O)CCCCCCCCCC
Computed Properties
- Exact Mass: 320.19884
- Monoisotopic Mass: 320.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 12
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, decyl ester, (2E)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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