Cas no 63247-16-5 (Propane-1,1,2,3-tetracarboxylic acid)
63247-16-5 structure
Product Name:Propane-1,1,2,3-tetracarboxylic acid
CAS No:63247-16-5
MF:C7H8O8
MW:220.133623123169
CID:2790150
PubChem ID:15930806
Update Time:2025-04-21
Propane-1,1,2,3-tetracarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 63247-16-5
- SCHEMBL1042513
- DTXSID40579740
- Propan-1.1.2.3-tetracarbonsaure
- AKOS004114638
- Propane-1,1,2,3-tetracarboxylic acid
-
- Inchi： 1S/C7H8O8/c8-3(9)1-2(5(10)11)4(6(12)13)7(14)15/h2,4H,1H2,(H,8,9)(H,10,11)(H,12,13)(H,14,15)
- InChI Key： NJKRDXUWFBJCDI-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)C(C(=O)O)C(=O)O)=O
Computed Properties
- Exact Mass: 220.02191721Da
- Monoisotopic Mass: 220.02191721Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 149?2
Propane-1,1,2,3-tetracarboxylic acid Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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