Cas no 64086-99-3 (Benzenedicarboxylic acid, (carboxycarbonyl)-)
64086-99-3 structure
Product Name:Benzenedicarboxylic acid, (carboxycarbonyl)-
CAS No:64086-99-3
MF:C10H6O7
MW:238.150443553925
CID:1669532
PubChem ID:71380492
Update Time:2025-04-21
Benzenedicarboxylic acid, (carboxycarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenedicarboxylic acid, (carboxycarbonyl)-
- 3-oxalophthalic acid
- 3-Oxalobenzene-1,2-dicarboxylic acid
- 64086-99-3
- DTXSID10803004
-
- Inchi： 1S/C10H6O7/c11-7(10(16)17)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,12,13)(H,14,15)(H,16,17)
- InChI Key： PKCVLLKHYSQMJR-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CC=CC=1C(C(=O)O)=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: 373
- 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
Benzenedicarboxylic acid, (carboxycarbonyl)- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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