Cas no 45302-46-3 (2-Butenedioic acid(2E)-, monodocosyl ester)
45302-46-3 structure
Product Name:2-Butenedioic acid(2E)-, monodocosyl ester
CAS No:45302-46-3
MF:C26H48O4
MW:424.656929016113
CID:332674
PubChem ID:6452026
Update Time:2025-04-19
2-Butenedioic acid(2E)-, monodocosyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Butenedioic acid(2E)-, monodocosyl ester
- docosyl hydrogen fumarate
- NS00057616
- SCHEMBL2831203
- 45302-46-3
- DTXSID101310865
- Docosyl (2E)-2-butenedioate
- EINECS 256-228-8
-
- Inchi： 1S/C26H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-30-26(29)23-22-25(27)28/h22-23H,2-21,24H2,1H3,(H,27,28)/b23-22+
- InChI Key： RMLKCUDDJZHVOL-GHVJWSGMSA-N
- SMILES： O(C(/C=C/C(=O)O)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 424.35526001g/mol
- Monoisotopic Mass: 424.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 24
- Complexity: 417
- 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: 10.8
- Topological Polar Surface Area: 63.6?2
2-Butenedioic acid(2E)-, monodocosyl ester Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
45302-46-3 (2-Butenedioic acid(2E)-, monodocosyl ester) Related Products
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 19139-31-2(Di-N-hexyl Fumarate)
- 105-76-0(Dibutyl maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 105-75-9(Dibutyl fumarate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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