Cas no 134937-40-9 (Propanoic acid, 2-(phenylsulfinyl)-)
134937-40-9 structure
Product Name:Propanoic acid, 2-(phenylsulfinyl)-
CAS No:134937-40-9
MF:C9H10O3S
MW:198.238901615143
CID:3712162
PubChem ID:14954386
Update Time:2025-04-22
Propanoic acid, 2-(phenylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(phenylsulfinyl)-
- 2-Phenylsulfinylpropanoic acid
- 2-(phenylsulfinyl)propanoic acid
- 134937-40-9
- WS-03169
- AKOS010558423
- 2-(benzenesulfinyl)propanoic acid
- SCHEMBL6550812
- E72366
-
- Inchi： 1S/C9H10O3S/c1-7(9(10)11)13(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
- InChI Key： AKFBEKJEDUGXEP-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C(C(=O)O)C)=O
Computed Properties
- Exact Mass: 198.03506535g/mol
- Monoisotopic Mass: 198.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 73.6?2
Propanoic acid, 2-(phenylsulfinyl)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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