Cas no 944-54-7 (1H-Pyrrole-2,3,4-tricarboxylic acid)
944-54-7 structure
Product Name:1H-Pyrrole-2,3,4-tricarboxylic acid
CAS No:944-54-7
MF:C7H5NO6
MW:199.117702245712
CID:752279
PubChem ID:71423390
Update Time:2025-04-19
1H-Pyrrole-2,3,4-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2,3,4-tricarboxylic acid
- DTXSID90842219
- 944-54-7
- 2,3,4-pyrrole-tricarboxylic acid
-
- Inchi： 1S/C7H5NO6/c9-5(10)2-1-8-4(7(13)14)3(2)6(11)12/h1,8H,(H,9,10)(H,11,12)(H,13,14)
- InChI Key： IBLWXWNVAFCXCW-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)=CNC=1C(=O)O)=O
Computed Properties
- Exact Mass: 199.01168688g/mol
- Monoisotopic Mass: 199.01168688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 288
- 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: 128?2
1H-Pyrrole-2,3,4-tricarboxylic acid Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
944-54-7 (1H-Pyrrole-2,3,4-tricarboxylic acid) Related Products
- 89-00-9(Quinolinic acid)
- 4513-93-3(3,5-Dimethyl-1H-pyrrole-2-carboxylic acid)
- 53636-70-7(6-methylpyridine-2,3-dicarboxylic acid)
- 89776-55-6(3,4-Dimethyl-1H-pyrrole-2-carboxylic acid)
- 53636-65-0(5-Methylpyridine-2,3-dicarboxylic acid)
- 339155-13-4(2,3-Pyridinedicarboxylic acid)
- 1125-32-2(1H-Pyrrole-2,3-dicarboxylic acid)
- 90724-57-5(3-Methyl-1H-pyrrole-2-carboxylic Acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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