Cas no 58844-75-0 (2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid)
![2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/59000/58844-75-0x500.png)
58844-75-0 structure
Product Name:2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid
CAS No:58844-75-0
MF:C15H14O4S
MW:290.334263324738
CID:1612366
PubChem ID:42858
Update Time:2025-04-21
2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid
- 2-(2,3-dimethylphenyl)sulfonylbenzoic acid
- Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
- DTXSID50207567
- BENZOIC ACID, o-((2,3-XYLYL)SULFONYL)-
- 58844-75-0
- BRN 2139219
- CHEMBL3277077
- 2-[(2,3-Dimethylphenyl)sulfonyl ]benzoic acid
- Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (9CI)
- 2-((2,3-Dimethylphenyl)sulfonyl)benzoic acid
- DB-260463
- o-((2,3-Xylyl)sulfonyl)benzoic acid
-
- Inchi： 1S/C15H14O4S/c1-10-6-5-9-13(11(10)2)20(18,19)14-8-4-3-7-12(14)15(16)17/h3-9H,1-2H3,(H,16,17)
- InChI Key： ADTDTEOEJQZOKN-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)(C1C=CC=C(C)C=1C)(=O)=O
Computed Properties
- Exact Mass: 290.06132
- Monoisotopic Mass: 290.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 451
- 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: 79.8?2
Experimental Properties
- PSA: 71.44
2-[(2,3-dimethylphenyl)sulfonyl]benzoic acid Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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