Cas no 2969-16-6 (Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI))
2969-16-6 structure
Product Name:Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)
CAS No:2969-16-6
MF:C22H28O10
MW:452.451727867126
CID:289242
PubChem ID:260522
Update Time:2025-04-19
Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI) Chemical and Physical Properties
Names and Identifiers
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- Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)
- [2,4,5-tris(2-methylpropanoyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl] 2-methylpropanoate
- 3,6-dioxocyclohexa-1,4-diene-1,2,4,5-tetrayl tetrakis(2-methylpropanoate)
- AC1L63BW
- AC1Q6D28
- AG-K-26575
- AR-1F0064
- CTK4G3669
- NSC91870
- Tetrahydroxychinon-tetraisobutyrat
- Tetrakis-isobutyryloxy-[1,4]benzochinon
- tetrakis-isobutyryloxy-[1,4]benzoquinone
- DTXSID20293755
- 2969-16-6
- NSC-91870
-
- Inchi： 1S/C22H28O10/c1-9(2)19(25)29-15-13(23)17(31-21(27)11(5)6)18(32-22(28)12(7)8)14(24)16(15)30-20(26)10(3)4/h9-12H,1-8H3
- InChI Key： YJTMPPLOGFETMM-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)C1C(C(=C(C(C=1OC(C(C)C)=O)=O)OC(C(C)C)=O)OC(C(C)C)=O)=O
Computed Properties
- Exact Mass: 452.16824
- Monoisotopic Mass: 452.16824709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 32
- Rotatable Bond Count: 12
- Complexity: 758
- 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: 4
- Topological Polar Surface Area: 139?2
Experimental Properties
- PSA: 139.34
- LogP: 2.35820
Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
2969-16-6 (Isobutyric acid,tetraester with 2,3,5,6-tetrahydroxy-p-benzoquinone (8CI)) Related Products
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