Cas no 874817-82-0 (1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2))
874817-82-0 structure
Product Name:1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2)
CAS No:874817-82-0
MF:C20H20N2O4
MW:352.383805274963
CID:1897674
PubChem ID:71412722
Update Time:2025-04-21
1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2)
- benzene-1,3-dicarboxylic acid,4-methylpyridine
- 874817-82-0
- Benzene-1,3-dicarboxylic acid--4-methylpyridine (1/2)
- DTXSID80832265
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- Inchi： 1S/C8H6O4.2C6H7N/c9-7(10)5-2-1-3-6(4-5)8(11)12;2*1-6-2-4-7-5-3-6/h1-4H,(H,9,10)(H,11,12);2*2-5H,1H3
- InChI Key： HHIPTRURBBXXNM-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C(C(=O)O)C=1)=O.N1C=CC(C)=CC=1.N1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 352.14230712Da
- Monoisotopic Mass: 352.14230712Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 100?2
1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
874817-82-0 (1,3-Benzenedicarboxylic acid, compd. with 4-methylpyridine (1:2)) Related Products
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