Cas no 91903-33-2 (Benzenesulfonic acid,2-methyl-, phenyl ester)
91903-33-2 structure
Product Name:Benzenesulfonic acid,2-methyl-, phenyl ester
CAS No:91903-33-2
MF:C13H12O3S
MW:248.297582626343
CID:800202
PubChem ID:14869832
Update Time:2025-04-19
Benzenesulfonic acid,2-methyl-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,2-methyl-, phenyl ester
- o-Toluenesulfonic acid, phenyl ester
- phenol toluenesulfonate
- O-Toluenesulfonic acid,phenyl ester
- SCHEMBL6912873
- 91903-33-2
-
- Inchi： 1S/C13H12O3S/c1-11-7-5-6-10-13(11)17(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3
- InChI Key： ODOPFDLFKUKZCU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C)(=O)(=O)OC1C=CC=CC=1
Computed Properties
- Exact Mass: 248.05071541g/mol
- Monoisotopic Mass: 248.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 325
- 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: 3.4
- Topological Polar Surface Area: 51.8?2
Benzenesulfonic acid,2-methyl-, phenyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
91903-33-2 (Benzenesulfonic acid,2-methyl-, phenyl ester) Related Products
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