Cas no 117589-36-3 (Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI))
![Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI) structure](https://ossimg.kuujia.com/scimg/118000/117589-36-3x500.png)
117589-36-3 structure
Product Name:Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI)
CAS No:117589-36-3
MF:C17H18O5S
MW:334.386824131012
CID:138228
PubChem ID:15630389
Update Time:2025-04-19
Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI)
- BENZYL (R)-2-TOSYLOXYPROPIONATE
- BENZYL (R)-TOSYLOXYPROPIONATE (TSBN)
- benzyl 2-(4-methylphenyl)sulfonyloxypropanoate
- ACMC-20mnae
- AGN-PC-00Q0B7
- Benzyl (2R)-2-(4-toluenesulfonyloxy)propionate
- TSBN
- BENZYL (R)-TOSYLOXYPROPIONATE
- Benzyl (R)-2-(4-toluenesulfonyloxy)propanoate
- Benzyl 2-[(4-methylbenzene-1-sulfonyl)oxy]propanoate
- 117589-36-3
- DTXSID60576019
- SCHEMBL605142
- VTIDIAIZOPXIFZ-UHFFFAOYSA-N
-
- Inchi： 1S/C17H18O5S/c1-13-8-10-16(11-9-13)23(19,20)22-14(2)17(18)21-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
- InChI Key： VTIDIAIZOPXIFZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)OC(C(=O)OCC1C=CC=CC=1)C
Computed Properties
- Exact Mass: 334.08700
- Monoisotopic Mass: 334.08749484g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 468
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 78?2
Experimental Properties
- PSA: 78.05000
- LogP: 3.91300
Propanoic acid,2-[[(4-methylphenyl)sulfonyl]oxy]-, phenylmethyl ester, (R)- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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