Cas no 93012-55-6 (2-(2-((6-Carboxymethylphenyl)thio)phenyl)acetic acid)
93012-55-6 structure
Product Name:2-(2-((6-Carboxymethylphenyl)thio)phenyl)acetic acid
CAS No:93012-55-6
MF:C16H14O4S
MW:302.344963550568
CID:2150687
Update Time:2023-08-05
2-(2-((6-Carboxymethylphenyl)thio)phenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(2-((6-carboxymethylphenyl)thio)phenyl)acetic acid
- PDFAZLHTIJPEKB-UHFFFAOYSA-N
- 2-(2-((6-Carboxymethylphenyl)thio)phenyl)acetic acid
-
- Inchi： 1S/C16H14O4S/c17-15(18)9-11-5-1-3-7-13(11)21-14-8-4-2-6-12(14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
- InChI Key： PDFAZLHTIJPEKB-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)C1C=CC=CC=1CC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 337
- Topological Polar Surface Area: 99.9
2-(2-((6-Carboxymethylphenyl)thio)phenyl)acetic acid Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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