Cas no 13731-83-4 (2,3-dimethylterephthalic Acid)
2,3-dimethylterephthalic Acid structure
Product Name:2,3-dimethylterephthalic Acid
CAS No:13731-83-4
MF:C10H10O4
MW:194.184003353119
CID:2915018
PubChem ID:168307
Update Time:2025-04-21
2,3-dimethylterephthalic Acid Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL128319
- 2,3-dimethylbenzene-1,4-dicarboxylic acid
- DTXSID90865180
- 2,3-dimethylterephthalic Acid
- 13731-83-4
- dimethylterephthalic acid
-
- Inchi： 1S/C10H10O4/c1-5-6(2)8(10(13)14)4-3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
- InChI Key： RYRZSXJVEILFRR-UHFFFAOYSA-N
- SMILES： OC(C1=CC=C(C(=O)O)C(C)=C1C)=O
Computed Properties
- Exact Mass: 194.05790880Da
- Monoisotopic Mass: 194.05790880Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 223
- 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
2,3-dimethylterephthalic Acid Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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