Cas no 52775-08-3 (Propanedioic acid, 3-thienyl-, mono(diphenylmethyl) ester)
52775-08-3 structure
Product Name:Propanedioic acid, 3-thienyl-, mono(diphenylmethyl) ester
CAS No:52775-08-3
MF:C20H15O4S
MW:351.395704507828
CID:358830
PubChem ID:71365510
Update Time:2025-04-19
Propanedioic acid, 3-thienyl-, mono(diphenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 3-thienyl-, mono(diphenylmethyl) ester
- 3-benzhydryloxy-3-oxo-2-thiophen-3-ylpropanoate
- 3-(Diphenylmethoxy)-3-oxo-2-(thiophen-3-yl)propanoate
- DTXSID30788920
- 52775-08-3
-
- Inchi： 1S/C20H16O4S/c21-19(22)17(16-11-12-25-13-16)20(23)24-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,17-18H,(H,21,22)/p-1
- InChI Key： VCROLTCVCBQSEL-UHFFFAOYSA-M
- SMILES： S1C=CC(=C1)C(C(=O)[O-])C(=O)OC(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 351.06915
- Monoisotopic Mass: 351.06910513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 431
- 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: 5
- Topological Polar Surface Area: 94.7?2
Experimental Properties
- PSA: 66.43
Propanedioic acid, 3-thienyl-, mono(diphenylmethyl) ester Related Literature
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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