Cas no 591247-32-4 (Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]-)
![Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]- structure](https://ossimg.kuujia.com/scimg/591500/591247-32-4x500.png)
591247-32-4 structure
Product Name:Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]-
CAS No:591247-32-4
MF:C18H18O3
MW:282.333725452423
CID:1613586
Update Time:2024-09-13
Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]-
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- Inchi： 1S/C18H18O3/c1-21-17-6-2-4-14(12-17)5-3-7-18(20)16-10-8-15(13-19)9-11-16/h2,4,6,8-13H,3,5,7H2,1H3
- InChI Key： WCMUZKGGSKVYHB-UHFFFAOYSA-N
- SMILES： C(=O)C1=CC=C(C(=O)CCCC2=CC=CC(OC)=C2)C=C1
Computed Properties
- Exact Mass: 282.12564
Experimental Properties
- Density: 1.127±0.06 g/cm3(Predicted)
- Boiling Point: 460.8±35.0 °C(Predicted)
- PSA: 43.37
Benzaldehyde, 4-[4-(3-methoxyphenyl)-1-oxobutyl]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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