Cas no 4707-77-1 (4,5-dihydroxyisophthalic acid)
4,5-dihydroxyisophthalic acid structure
Product Name:4,5-dihydroxyisophthalic acid
4,5-dihydroxyisophthalic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,5-dihydroxyisophthalic acid
- 4,5-dihydroxybenzene-1,3-dicarboxylic acid
- 1,3-benzenedicarboxylic acid, 4,5-dihydroxy-
- 4707-77-1
- FT-0703604
- SCHEMBL843251
- DTXSID00197025
- CHEBI:141383
- DA-42395
-
- Inchi： 1S/C8H6O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
- InChI Key： FBOCZYIJDQZQFE-UHFFFAOYSA-N
- SMILES： OC1C(=CC(C(=O)O)=CC=1C(=O)O)O
Computed Properties
- Exact Mass: 198.01638
- Monoisotopic Mass: 198.01643791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 1.1
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
4,5-dihydroxyisophthalic acid Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
4707-77-1 (4,5-dihydroxyisophthalic acid) Related Products
- 490-79-9(2,5-Dihydroxybenzoic acid)
- 303-38-8(2,3-Dihydroxybenzoic acid)
- 610-02-6(2,3,4-Trihydroxybenzoic acid)
- 89-56-5(5-Methylsalicylic acid)
- 69-72-7(Salicylic acid)
- 610-92-4(DHTA)
- 636-46-4(4-Hydroxyisophthalic acid)
- 50-85-1(4-Methylsalicylic acid)
- 83-40-9(3-Methylsalicylic acid)
- 616-76-2(5-Formylsalicylic Acid)
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