Cas no 158774-08-4 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octyl ester)
158774-08-4 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octyl ester
CAS No:158774-08-4
MF:C17H24O4
MW:292.370065689087
CID:1337497
PubChem ID:54290754
Update Time:2025-04-20
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octyl ester
- octyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- SCHEMBL3240552
- 158774-08-4
- n-Octylcaffeate
- DTXSID20710356
-
- Inchi： 1S/C17H24O4/c1-2-3-4-5-6-7-12-21-17(20)11-9-14-8-10-15(18)16(19)13-14/h8-11,13,18-19H,2-7,12H2,1H3
- InChI Key： RXIINIWPQBLXAP-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC(=C(C=1)O)O)=O)CCCCCCCC
Computed Properties
- Exact Mass: 292.16752
- Monoisotopic Mass: 292.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 314
- 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: 5.7
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, octyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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