Cas no 101335-71-1 (Benzoic acid, 4-(4-phenyl-1-butenyl)-)
101335-71-1 structure
Product Name:Benzoic acid, 4-(4-phenyl-1-butenyl)-
CAS No:101335-71-1
MF:C17H16O2
MW:252.307744979858
CID:1131666
Update Time:2024-07-27
Benzoic acid, 4-(4-phenyl-1-butenyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(4-phenyl-1-butenyl)-
- Benzoic acid, 4-(4-phenyl-1-buten-1-yl)-
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- Inchi： 1S/C17H16O2/c18-17(19)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-13H,4,8H2,(H,18,19)
- InChI Key： MQUYOXRVOWLXTI-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(C=CCCC2=CC=CC=C2)C=C1
Computed Properties
- Exact Mass: 252.11508
Experimental Properties
- Density: 1.146±0.06 g/cm3(Predicted)
- Boiling Point: 436.0±24.0 °C(Predicted)
- PSA: 37.3
- pka: 4.29±0.10(Predicted)
Benzoic acid, 4-(4-phenyl-1-butenyl)- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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