Cas no 3112-43-4 (1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)-)
3112-43-4 structure
Product Name:1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)-
CAS No:3112-43-4
MF:C10H6O7
MW:238.150443553925
CID:318416
PubChem ID:13184872
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)-
- Phthalonicacid, 6-carboxy- (6CI,7CI,8CI)
- 2-oxalobenzene-1,3-dicarboxylic acid
- DTXSID60525668
- 3112-43-4
-
- Inchi： 1S/C10H6O7/c11-7(10(16)17)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,12,13)(H,14,15)(H,16,17)
- InChI Key： MKKVMUPZRDPRHL-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)C1C(C(=O)O)=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 238.01128
- Monoisotopic Mass: 238.01135253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 351
- 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: 0.4
- Topological Polar Surface Area: 129?2
Experimental Properties
- PSA: 128.97
1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)- 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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
3112-43-4 (1,3-Benzenedicarboxylicacid, 2-(carboxycarbonyl)-) Related Products
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