Cas no 4808-89-3 (1,3,5-Hexanetrione, 1-(4-methoxyphenyl)-)
4808-89-3 structure
Product Name:1,3,5-Hexanetrione, 1-(4-methoxyphenyl)-
CAS No:4808-89-3
MF:C13H14O4
MW:234.247864246368
CID:1518549
PubChem ID:71362818
Update Time:2025-04-21
1,3,5-Hexanetrione, 1-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Hexanetrione, 1-(4-methoxyphenyl)-
- 1-(4-methoxyphenyl)hexane-1,3,5-trione
- 4808-89-3
- DTXSID30786421
-
- Inchi： 1S/C13H14O4/c1-9(14)7-11(15)8-13(16)10-3-5-12(17-2)6-4-10/h3-6H,7-8H2,1-2H3
- InChI Key： UIHBUZJKRBWGLO-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)C(CC(CC(C)=O)=O)=O
Computed Properties
- Exact Mass: 234.08922
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
1,3,5-Hexanetrione, 1-(4-methoxyphenyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
4808-89-3 (1,3,5-Hexanetrione, 1-(4-methoxyphenyl)-) Related Products
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- 100863-37-4(1-Heptanone,1-(3-methoxyphenyl)-)
- 178445-83-5(3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)propan-1-one)
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- 4160-51-4(1-(4-Methoxyphenyl)butan-1-one)
- 120-44-5(1,2-Bis(4-methoxyphenyl)ethanone)
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