Cas no 142260-02-4 (2-Thiophenehexanoic acid, 5-(3-phenylpropyl)-)
142260-02-4 structure
Product Name:2-Thiophenehexanoic acid, 5-(3-phenylpropyl)-
CAS No:142260-02-4
MF:C19H24O2S
MW:316.457664489746
CID:1311107
Update Time:2024-08-18
2-Thiophenehexanoic acid, 5-(3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenehexanoic acid, 5-(3-phenylpropyl)-
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- Inchi： 1S/C19H24O2S/c20-19(21)13-6-2-5-11-17-14-15-18(22-17)12-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,20,21)
- InChI Key： VHOSPCJRLSOSAN-UHFFFAOYSA-N
- SMILES： C1(CCCCCC(O)=O)SC(CCCC2=CC=CC=C2)=CC=1
Computed Properties
- Exact Mass: 316.14982
Experimental Properties
- Density: 1.120±0.06 g/cm3(Predicted)
- Boiling Point: 474.8±33.0 °C(Predicted)
- PSA: 37.3
- pka: 4.76±0.10(Predicted)
2-Thiophenehexanoic acid, 5-(3-phenylpropyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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