Cas no 51152-27-3 (2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid)
51152-27-3 structure
Product Name:2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid
CAS No:51152-27-3
MF:C14H24O7
MW:304.336165428162
CID:372804
PubChem ID:6452352
Update Time:2025-04-19
2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid
- (2-ethylhexyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
- 2-[2-(2-ethylhexoxy)-2-oxoethyl]-2-hydroxybutanedioic acid
- 2-{2-[(2-ethylhexyl)oxy]-2-oxoethyl}-2-hydroxybutanedioic acid
- SCHEMBL1857521
- DTXSID20965425
- NS00056276
- (2-Ethylhexyl)dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
- EINECS 257-019-4
- 51152-27-3
-
- Inchi： 1S/C14H24O7/c1-3-5-6-10(4-2)9-21-12(17)8-14(20,13(18)19)7-11(15)16/h10,20H,3-9H2,1-2H3,(H,15,16)(H,18,19)
- InChI Key： NWMWIZWLHXMUGJ-UHFFFAOYSA-N
- SMILES： O(C(CC(C(=O)O)(CC(=O)O)O)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 304.15222
- Monoisotopic Mass: 304.152203
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 121
Experimental Properties
- Density: 1.215
- Boiling Point: 475°Cat760mmHg
- Flash Point: 170.7°C
- Refractive Index: 1.497
- PSA: 121.13
2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
51152-27-3 (2-(2-ethylhexoxycarbonylmethyl)-2-hydroxy-butanedioic acid) Related Products
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