Cas no 102083-79-4 (1,3-Isobenzofurandione, hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv.)
102083-79-4 structure
Product Name:1,3-Isobenzofurandione, hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv.
CAS No:102083-79-4
MF:C13H14O6
MW:266.246664524078
CID:230326
Update Time:2023-08-03
1,3-Isobenzofurandione, hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv. Chemical and Physical Properties
Names and Identifiers
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- 1,3-Isobenzofurandione,hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv.
- 1,3-Isobenzofurandione, hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv.
- 5-(2,5-Dioxooxolan-3-yl)-6-methylhexahydro-2-benzofuran-1,3-dione
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- Inchi： 1S/C13H14O6/c1-5-2-7-8(13(17)19-12(7)16)3-6(5)9-4-10(14)18-11(9)15/h5-9H,2-4H2,1H3
- InChI Key： XPOYFTQNGYEDRD-UHFFFAOYSA-N
- SMILES： O1C(C2CC(C)C(C3C(=O)OC(C3)=O)CC2C1=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 482
- Topological Polar Surface Area: 86.7
1,3-Isobenzofurandione, hexahydro-5-methyl(tetrahydro-2,5-dioxo-3-furanyl)-, didehydro deriv. Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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