Cas no 920318-17-8 (2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-)
920318-17-8 structure
Product Name:2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-
CAS No:920318-17-8
MF:C13H12O4
MW:232.231984138489
CID:757495
PubChem ID:71424203
Update Time:2025-04-19
2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-
- 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]pyran-2-one
- 4-Hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2H-pyran-2-one
- DTXSID50843005
- 6-(4-hydroxyphenethyl)-4-hydroxy-2h-pyran-2-one
- 920318-17-8
- SCHEMBL21317639
-
- Inchi: 1S/C13H12O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-2,4-5,7-8,14-15H,3,6H2
- InChI Key: KKLHRBKHXBCHPR-UHFFFAOYSA-N
- SMILES: O1C(C=C(C=C1CCC1C=CC(=CC=1)O)O)=O
Computed Properties
- Exact Mass: 232.07355886g/mol
- Monoisotopic Mass: 232.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 348
- 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: 2
- Topological Polar Surface Area: 66.8?2
2H-Pyran-2-one, 4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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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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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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