Cas no 918629-59-1 (5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)-)
918629-59-1 structure
Product Name:5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)-
CAS No:918629-59-1
MF:C13H14O4
MW:234.247864246368
CID:772747
PubChem ID:57084921
Update Time:2025-04-19
5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)-
- 6-(3-hydroxy-4-methoxyphenyl)hex-5-ene-2,4-dione
- DTXSID10720262
- 918629-59-1
- LIJZUGZAEVRJQH-UHFFFAOYSA-N
-
- Inchi： 1S/C13H14O4/c1-9(14)7-11(15)5-3-10-4-6-13(17-2)12(16)8-10/h3-6,8,16H,7H2,1-2H3
- InChI Key： LIJZUGZAEVRJQH-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=CC(CC(C)=O)=O)=CC=1O
Computed Properties
- Exact Mass: 234.08920892g/mol
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 309
- 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: 1.6
- Topological Polar Surface Area: 63.6?2
5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
918629-59-1 (5-Hexene-2,4-dione, 6-(3-hydroxy-4-methoxyphenyl)-, (5E)-) Related Products
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