Cas no 4219-54-9 (Propanedioic acid,1,3-dihexadecyl ester)
4219-54-9 structure
Product Name:Propanedioic acid,1,3-dihexadecyl ester
Propanedioic acid,1,3-dihexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,1,3-dihexadecyl ester
- dihexadecyl propanedioate
- AC1L56U3
- AC1Q67EO
- AR-1I5230
- CTK4I5831
- dihexadecyl malonate
- dihexadecyl propane-1,3-dioate
- malonic acid dihexadecyl ester
- Malonsaeuredicetylester
- Malonsaeure-dicetylester
- Malonsaeure-dihexadecylester
- NSC873
- dicetyl malonate
- NSC-873
- Propanedioic acid, 1,3-dihexadecyl ester
- AKOS024390683
- 1-Hexadecanol, malonate (2:1)
- MALONIC ACID, DIHEXADECYL ESTER
- 4219-54-9
- DTXSID10277105
- DLQPKVNBNGRICI-UHFFFAOYSA-N
- SCHEMBL235596
- UNII-1BE23L03FY
- Q27252194
- 1BE23L03FY
-
- Inchi： 1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-34(36)33-35(37)39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
- InChI Key： DLQPKVNBNGRICI-UHFFFAOYSA-N
- SMILES： O(C(CC(=O)OCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 552.51204
- Monoisotopic Mass: 552.51176065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 39
- Rotatable Bond Count: 34
- Complexity: 461
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 15.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid,1,3-dihexadecyl ester Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
4219-54-9 (Propanedioic acid,1,3-dihexadecyl ester) Related Products
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