Cas no 96129-29-2 (3,6,9,12-Tetraoxatetradecanedioic acid, 2,13-dioctyl-)
96129-29-2 structure
Product Name:3,6,9,12-Tetraoxatetradecanedioic acid, 2,13-dioctyl-
CAS No:96129-29-2
MF:C26H50O8
MW:490.670409679413
CID:2819635
PubChem ID:10255029
Update Time:2025-04-21
3,6,9,12-Tetraoxatetradecanedioic acid, 2,13-dioctyl- Chemical and Physical Properties
Names and Identifiers
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- 3,6,9,12-Tetraoxatetradecanedioic acid, 2,13-dioctyl-
- 96129-29-2
- DTXSID70437369
-
- Inchi： 1S/C26H50O8/c1-3-5-7-9-11-13-15-23(25(27)28)33-21-19-31-17-18-32-20-22-34-24(26(29)30)16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3,(H,27,28)(H,29,30)
- InChI Key： OUYMNRGPSGBPAO-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCOC(C(=O)O)CCCCCCCC)C(C(=O)O)CCCCCCCC
Computed Properties
- Exact Mass: 490.35056855Da
- Monoisotopic Mass: 490.35056855Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 27
- Complexity: 430
- 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
- XLogP3: 6.8
- Topological Polar Surface Area: 112?2
3,6,9,12-Tetraoxatetradecanedioic acid, 2,13-dioctyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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