Cas no 198625-32-0 (4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid)
198625-32-0 structure
Product Name:4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid
CAS No:198625-32-0
MF:C17H14O5
MW:298.290065288544
CID:1390526
PubChem ID:53913383
Update Time:2025-04-20
4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid
- 1,2-benzenedicarboxylic acid, 4-(2,5-dimethylbenzoyl)-
- 4-(2,5-Dimethylbenzoyl)phthalic acid
- LogP
- SCHEMBL7772106
- 4-(2,5-Dimethylbenzoyl)-1,2-benzenedicarboxylic acid
- DTXSID501220757
- 198625-32-0
-
- Inchi: 1S/C17H14O5/c1-9-3-4-10(2)13(7-9)15(18)11-5-6-12(16(19)20)14(8-11)17(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)
- InChI Key: IFJBOTRWSLRSCA-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(C(=O)O)=C(C(=O)O)C=1)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 298.08412
- Monoisotopic Mass: 298.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 458
- 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: 3
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 91.67
4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
198625-32-0 (4-[(2,5-dimethylphenyl)carbonyl]benzene-1,2-dicarboxylic acid) Related Products
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