Cas no 82784-82-5 (1,2-Benzenedicarboxylicacid, 3,4-dihydroxy-)
82784-82-5 structure
Product Name:1,2-Benzenedicarboxylicacid, 3,4-dihydroxy-
1,2-Benzenedicarboxylicacid, 3,4-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 3,4-dihydroxy-
- 3,4-dihydroxyphthalic acid
- C03223
- Q27102386
- 82784-82-5
- 3,4-Dhpa
- CHEBI:17416
- AKOS005216635
- DTXSID40231997
- FT-0726514
- 1,2-Benzenedicarboxylic acid, 3,4-dihydroxy-
- SCHEMBL157512
-
- Inchi： 1S/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
- InChI Key： QXGJCWSBOZXWOV-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(C(=O)O)=C1C(=O)O)O
Computed Properties
- Exact Mass: 198.016
- Monoisotopic Mass: 198.016
- 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: 0.9
- Topological Polar Surface Area: 115?2
Experimental Properties
- Density: 1.779
- Boiling Point: 487.2°C at 760 mmHg
- Flash Point: 262.6°C
- Refractive Index: 1.717
1,2-Benzenedicarboxylicacid, 3,4-dihydroxy- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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