Cas no 58844-73-8 (2-(phenylsulfonyl)benzoic acid)
58844-73-8 structure
Product Name:2-(phenylsulfonyl)benzoic acid
CAS No:58844-73-8
MF:C13H10O4S
MW:262.281102657318
CID:949097
PubChem ID:42856
Update Time:2025-04-19
2-(phenylsulfonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(phenylsulfonyl)benzoic acid
- 2-(benzenesulfonyl)benzoic acid
- o-(Phenylsulfonyl)benzoic acid
- 2-(Phenylsulfonyl)-benzoic Acid
- 2-benzenesulfonyl-benzoic acid
- 2-Benzolsulfonyl-benzoesaeure
- 2-Phenylsulfon-benzoesaeure
- AC1L28PV
- BENZOIC ACID, o-(PHENYLSULFONYL)-
- BRN 2121422
- CTK1H0370
- Diphenylsulfon-carbonsaeure-(2)
- NSC156502
- Sulfobenzid-carbonsaeure-(2)
- SureCN505289
- SCHEMBL505289
- 58844-73-8
- 4-10-00-00275 (Beilstein Handbook Reference)
- DTXSID30207565
- NSC-156502
- NSC 156502
- CHEMBL3277075
-
- Inchi: 1S/C13H10O4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H,(H,14,15)
- InChI Key: KTSLUOKXJWWOJR-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1)(C1C=CC=CC=1C(=O)O)(=O)=O
Computed Properties
- Exact Mass: 262.03
- Monoisotopic Mass: 262.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 390
- 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: 2.2
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 71.44
- LogP: 3.29840
2-(phenylsulfonyl)benzoic acid Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
58844-73-8 (2-(phenylsulfonyl)benzoic acid) Related Products
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