Cas no 918629-60-4 (2,4-Hexanedione, 6-(3-hydroxy-4-methoxyphenyl)-)
918629-60-4 structure
Product Name:2,4-Hexanedione, 6-(3-hydroxy-4-methoxyphenyl)-
CAS No:918629-60-4
MF:C13H16O4
MW:236.263744354248
CID:772746
PubChem ID:15982727
Update Time:2025-04-19
2,4-Hexanedione, 6-(3-hydroxy-4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexanedione, 6-(3-hydroxy-4-methoxyphenyl)-
- 6-(3-hydroxy-4-methoxyphenyl)hexane-2,4-dione
- DTXSID70580703
- 918629-60-4
- SCHEMBL4002776
-
- Inchi： 1S/C13H16O4/c1-9(14)7-11(15)5-3-10-4-6-13(17-2)12(16)8-10/h4,6,8,16H,3,5,7H2,1-2H3
- InChI Key： AEDSFCNLZLLJDH-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1O)CCC(CC(C)=O)=O
Computed Properties
- Exact Mass: 236.10485899g/mol
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 275
- 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: 1.3
- Topological Polar Surface Area: 63.6?2
2,4-Hexanedione, 6-(3-hydroxy-4-methoxyphenyl)- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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