Cas no 18190-63-1 (1,3-Benzenedicarboxylic acid, 2,4-dimethyl-)
18190-63-1 structure
Product Name:1,3-Benzenedicarboxylic acid, 2,4-dimethyl-
CAS No:18190-63-1
MF:C10H10O4
MW:194.184003353119
CID:1373946
PubChem ID:11679977
Update Time:2025-04-20
1,3-Benzenedicarboxylic acid, 2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2,4-dimethyl-
- DA-43464
- 2,4-dimethylisophthalic acid
- SCHEMBL195882
- 18190-63-1
-
- Inchi： 1S/C10H10O4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
- InChI Key： RPFQLNVYEXATJW-UHFFFAOYSA-N
- SMILES： OC(C1C(C)=CC=C(C(=O)O)C=1C)=O
Computed Properties
- Exact Mass: 194.0579
- Monoisotopic Mass: 194.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 249
- 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: 1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
1,3-Benzenedicarboxylic acid, 2,4-dimethyl- 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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
18190-63-1 (1,3-Benzenedicarboxylic acid, 2,4-dimethyl-) Related Products
- 528-44-9(Trimellic Acid)
- 528-90-5(2,4,5-Trimethylbenzoic acid)
- 119-67-5(2-Carboxybenzaldehyde)
- 89-05-4(Pyromellitic acid)
- 480-63-7(2,4,6-Trimethylbenzoic acid)
- 569-51-7(1,2,3-Benzenetricarboxylic acid)
- 611-01-8(2,4-Dimethylbenzoic acid)
- 88-99-3(Phthalic acid)
- 610-72-0(2,5-Dimethylbenzoic acid)
- 603-79-2(2,3-Dimethylbenzoic Acid)
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