Cas no 826990-94-7 (2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester)
![2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester structure](https://ossimg.kuujia.com/scimg/827000/826990-94-7x500.png)
826990-94-7 structure
Product Name:2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester
CAS No:826990-94-7
MF:C21H32O2
MW:316.477586746216
CID:687158
PubChem ID:71417941
Update Time:2025-04-19
2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester
- butyl 3-(3,5-ditert-butylphenyl)prop-2-enoate
- DTXSID80837270
- 826990-94-7
- BUTYL 3-(3,5-DI-TERT-BUTYLPHENYL)PROP-2-ENOATE
-
- Inchi： 1S/C21H32O2/c1-8-9-12-23-19(22)11-10-16-13-17(20(2,3)4)15-18(14-16)21(5,6)7/h10-11,13-15H,8-9,12H2,1-7H3
- InChI Key： JRTFBFDQKUOFKK-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C=CC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 316.240230259g/mol
- Monoisotopic Mass: 316.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 373
- 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: 26.3?2
2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester Related Literature
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
826990-94-7 (2-Propenoic acid, 3-[3,5-bis(1,1-dimethylethyl)phenyl]-, butyl ester) Related Products
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