Cas no 57624-55-2 (3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene)
![3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene structure](https://ossimg.kuujia.com/scimg/58000/57624-55-2x500.png)
57624-55-2 structure
Product Name:3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CAS No:57624-55-2
MF:C12H16O3
MW:208.253643989563
CID:344789
PubChem ID:12220426
Update Time:2025-04-19
3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene
- 57624-55-2
- DTXSID60481078
-
- Inchi： 1S/C12H16O3/c1-2-11-8-12(3-1)10-15-7-5-13-4-6-14-9-11/h1-3,8H,4-7,9-10H2
- InChI Key： GBFXQDPBIPTONL-UHFFFAOYSA-N
- SMILES： O1CCOCCOCC2C=CC=C(C=2)C1
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 156
- 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: 0.8
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
57624-55-2 (3,6,9-Trioxabicyclo[9.3.1]pentadeca-1(15),11,13-triene) Related Products
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