Cas no 66049-98-7 (3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal)
![3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal structure](https://ossimg.kuujia.com/scimg/66500/66049-98-7x500.png)
66049-98-7 structure
Product Name:3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal
CAS No:66049-98-7
MF:C26H42O3
MW:402.609888553619
CID:2795187
PubChem ID:71369847
Update Time:2025-04-21
3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal Chemical and Physical Properties
Names and Identifiers
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- DTXSID60792853
- 66049-98-7
- 3-[4-(HEXADECYLOXY)-3-METHOXYPHENYL]PROP-2-ENAL
- 3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal
-
- Inchi： 1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-25-20-19-24(18-17-21-27)23-26(25)28-2/h17-21,23H,3-16,22H2,1-2H3
- InChI Key： XDFJIDPTBIPKMV-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=CC=O)=CC=1OC)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 402.31339520Da
- Monoisotopic Mass: 402.31339520Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 19
- Complexity: 393
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 9.4
- Topological Polar Surface Area: 35.5?2
3-[4-(Hexadecyloxy)-3-methoxyphenyl]prop-2-enal Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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