Cas no 65726-17-2 (1,2,3,5-Benzenetetracarboxylic acid, 4-methoxy-)
65726-17-2 structure
Product Name:1,2,3,5-Benzenetetracarboxylic acid, 4-methoxy-
CAS No:65726-17-2
MF:C11H8O9
MW:284.175824165344
CID:1692820
PubChem ID:71375421
Update Time:2025-04-21
1,2,3,5-Benzenetetracarboxylic acid, 4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,5-Benzenetetracarboxylic acid, 4-methoxy-
- 4-methoxybenzene-1,2,3,5-tetracarboxylic acid
- DTXSID00798157
- 65726-17-2
-
- Inchi: 1S/C11H8O9/c1-20-7-4(9(14)15)2-3(8(12)13)5(10(16)17)6(7)11(18)19/h2H,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
- InChI Key: POGCFORGTAOSCR-UHFFFAOYSA-N
- SMILES: O(C)C1=C(C(=O)O)C=C(C(=O)O)C(C(=O)O)=C1C(=O)O
Computed Properties
- Exact Mass: 284.01674
- Monoisotopic Mass: 284.01683183g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 443
- 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
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 158.43
1,2,3,5-Benzenetetracarboxylic acid, 4-methoxy- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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