Cas no 111183-88-1 (5-Oxo-6-phenylhexanal)
5-Oxo-6-phenylhexanal structure
Product Name:5-Oxo-6-phenylhexanal
CAS No:111183-88-1
MF:C12H14O2
MW:190.238363742828
CID:2883955
Update Time:2023-08-10
5-Oxo-6-phenylhexanal Chemical and Physical Properties
Names and Identifiers
-
- 5-oxo-6-phenylhexanal
- delta-Oxobenzenehexanal
- 5-Oxo-6-phenylhexanal
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- Inchi： 1S/C12H14O2/c13-9-5-4-8-12(14)10-11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8,10H2
- InChI Key： HSWQVWXDSDEBSP-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)CCCC=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 181
- XLogP3: 1.3
- Topological Polar Surface Area: 34.1
5-Oxo-6-phenylhexanal Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Wan Lab Chip, 2020,20, 4528-4538
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