Cas no 7595-82-6 (Ethanone,1-[2,3-bis(acetyloxy)-4-methoxyphenyl]-)
7595-82-6 structure
Product Name:Ethanone,1-[2,3-bis(acetyloxy)-4-methoxyphenyl]-
CAS No:7595-82-6
MF:C13H14O6
MW:266.246664524078
CID:575669
PubChem ID:344510
Update Time:2025-04-19
Ethanone,1-[2,3-bis(acetyloxy)-4-methoxyphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[2,3-bis(acetyloxy)-4-methoxyphenyl]-
- (6-acetyl-2-acetyloxy-3-methoxyphenyl) acetate
- 1-(2,3-Diacetoxy-4-methoxy-phenyl)-aethanon
- 1-(2,3-diacetoxy-4-methoxy-phenyl)-ethanone
- AC1L80PT
- NSC401472
- 7595-82-6
- DTXSID10322528
- NSC-401472
- 3-Acetyl-6-methoxy-1,2-phenylene diacetate
-
- Inchi: 1S/C13H14O6/c1-7(14)10-5-6-11(17-4)13(19-9(3)16)12(10)18-8(2)15/h5-6H,1-4H3
- InChI Key: GOYBUMLAFMDMCA-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1C(=C(C=CC=1C(C)=O)OC)OC(C)=O
Computed Properties
- Exact Mass: 266.07902
- Monoisotopic Mass: 266.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 364
- 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: 1.2
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- Density: 1.208
- Boiling Point: 404.5°C at 760 mmHg
- Flash Point: 180.2°C
- Refractive Index: 1.507
- PSA: 78.9
- LogP: 1.74840
Ethanone,1-[2,3-bis(acetyloxy)-4-methoxyphenyl]- Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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