Cas no 206763-09-9 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester)
206763-09-9 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester
CAS No:206763-09-9
MF:C25H40O4
MW:404.582708358765
CID:1395418
PubChem ID:71446917
Update Time:2025-04-20
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester
- hexadecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- 206763-09-9
- DTXSID00855274
- SCHEMBL15009234
-
- Inchi： 1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-29-25(28)19-17-22-16-18-23(26)24(27)21-22/h16-19,21,26-27H,2-15,20H2,1H3
- InChI Key： VPDDQCXWJMAIAY-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=C(C=1)O)O)=O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 404.2928
- Monoisotopic Mass: 404.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 18
- Complexity: 421
- 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: 10
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
206763-09-9 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, hexadecyl ester) Related Products
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