Cas no 61892-86-2 (4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl-)
61892-86-2 structure
Product Name:4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl-
CAS No:61892-86-2
MF:C7H8O4
MW:156.136022567749
CID:463620
PubChem ID:71391388
Update Time:2025-04-19
4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl-
- 3,5-dihydroxy-2,6-dimethylpyran-4-one
- DTXSID40813257
- 3,5-Dihydroxy-2,6-dimethyl-4H-pyran-4-one
- 61892-86-2
-
- Inchi： 1S/C7H8O4/c1-3-5(8)7(10)6(9)4(2)11-3/h8-9H,1-2H3
- InChI Key： DJLKKCMNSIGNCW-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C(=C1C)O)=O)O
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 246
- 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: 0.6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl- Related Literature
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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