Cas no 637025-02-6 (1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1))
637025-02-6 structure
Product Name:1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1)
CAS No:637025-02-6
MF:C30H20N2O16
MW:664.483609199524
CID:1656276
PubChem ID:71380958
Update Time:2025-04-21
1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1)
- benzene-1,2,4,5-tetracarboxylic acid,4-pyridin-4-ylpyridine
- 637025-02-6
- DTXSID90803441
- Benzene-1,2,4,5-tetracarboxylic acid--4,4'-bipyridine (2/1)
- Benzene-1,2,4,5-tetracarboxylic acid;4-pyridin-4-ylpyridine
-
- Inchi： 1S/C10H8N2.2C10H6O8/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-8H;2*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
- InChI Key： VGHOPQLXUXTBIJ-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C(C(=O)O)=CC=1C(=O)O)=O.OC(C1C=C(C(=O)O)C(C(=O)O)=CC=1C(=O)O)=O.N1C=CC(=CC=1)C1C=CN=CC=1
Computed Properties
- Exact Mass: 664.0812
- Monoisotopic Mass: 664.08128255g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 48
- Rotatable Bond Count: 9
- Complexity: 435
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 324?2
Experimental Properties
- PSA: 324.18
1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1) Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
637025-02-6 (1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,4'-bipyridine (2:1)) Related Products
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