Cas no 125404-32-2 (Tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate)
125404-32-2 structure
Product Name:Tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate
CAS No:125404-32-2
MF:C27H42O9
MW:510.616989612579
CID:2760692
PubChem ID:71340341
Update Time:2025-04-21
Tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate Chemical and Physical Properties
Names and Identifiers
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- DTXSID90767554
- Tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate
- 125404-32-2
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- Inchi： 1S/C27H42O9/c28-15-7-1-4-10-18-34-25(31)22-13-14-23(26(32)35-19-11-5-2-8-16-29)24(21-22)27(33)36-20-12-6-3-9-17-30/h13-14,21,28-30H,1-12,15-20H2
- InChI Key： CNRIEBKEVPFUJR-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1C(=O)OCCCCCCO)C(=O)OCCCCCCO)=O)CCCCCCO
Computed Properties
- Exact Mass: 510.28288291Da
- Monoisotopic Mass: 510.28288291Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 24
- Complexity: 596
- 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: 3.7
- Topological Polar Surface Area: 140?2
Tris(6-hydroxyhexyl) benzene-1,2,4-tricarboxylate Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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