Cas no 10154-77-5 (Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester)
![Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/10500/10154-77-5x500.png)
10154-77-5 structure
Product Name:Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No:10154-77-5
MF:C11H14O4S
MW:242.291462421417
CID:1129520
PubChem ID:759357
Update Time:2025-04-20
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester
- methyl 3-(4-methylphenyl)sulfonylpropanoate
- methyl 3-(p-tolylsulfonyl)propionate
- methyl 3-[(4-methylphenyl)sulfonyl]propanoate
- SR-01000389201-1
- SR-01000389201
- AB00075199-01
- SCHEMBL7874157
- CBDivE_010950
- AKOS003678691
- HMS1577N10
- 10154-77-5
- DTXSID10353938
-
- Inchi： 1S/C11H14O4S/c1-9-3-5-10(6-4-9)16(13,14)8-7-11(12)15-2/h3-6H,7-8H2,1-2H3
- InChI Key： LXFORVRFXINBSA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(CCC(=O)OC)(=O)=O
Computed Properties
- Exact Mass: 242.06132
- Monoisotopic Mass: 242.06128010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 320
- 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: 1.3
- Topological Polar Surface Area: 68.8?2
Experimental Properties
- PSA: 60.44
- LogP: 2.41260
Propanoic acid, 3-[(4-methylphenyl)sulfonyl]-, methyl ester Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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