Cas no 93762-26-6 (tridecyl hydrogen 2-butenedioate)
93762-26-6 structure
Product Name:tridecyl hydrogen 2-butenedioate
CAS No:93762-26-6
MF:C17H30O4
MW:298.417706012726
CID:886706
PubChem ID:6437417
Update Time:2025-04-19
tridecyl hydrogen 2-butenedioate Chemical and Physical Properties
Names and Identifiers
-
- tridecyl hydrogen 2-butenedioate
- 4-Oxo-4-(tridecyloxy)-2-butenoic acid
- SCHEMBL1013504
- 93762-26-6
- SCHEMBL1013505
- EINECS 297-740-1
-
- Inchi： 1S/C17H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19/h13-14H,2-12,15H2,1H3,(H,18,19)/b14-13+
- InChI Key： FGACNJFGXDUISO-BUHFOSPRSA-N
- SMILES： O(C(/C=C/C(=O)O)=O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 298.214409
- Monoisotopic Mass: 298.214409
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 297
- 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: 5.9
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 0.991
- Boiling Point: 418.4°C at 760 mmHg
- Flash Point: 140.4°C
- Refractive Index: 1.471
- PSA: 63.60000
- LogP: 4.48140
tridecyl hydrogen 2-butenedioate Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
93762-26-6 (tridecyl hydrogen 2-butenedioate) 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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