Cas no 7330-81-6 (1,4-Benzenediol, 2,6-diethyl-)
1,4-Benzenediol, 2,6-diethyl- structure
Product Name:1,4-Benzenediol, 2,6-diethyl-
CAS No:7330-81-6
MF:C10H14O2
MW:166.216963291168
CID:542679
PubChem ID:14258205
Update Time:2025-04-19
1,4-Benzenediol, 2,6-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2,6-diethyl-
- 2,6-diethylbenzene-1,4-diol
- SCHEMBL69820
- CXYJCQMKGSGTJI-UHFFFAOYSA-N
- DTXSID00558112
- 7330-81-6
-
- Inchi: 1S/C10H14O2/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6,11-12H,3-4H2,1-2H3
- InChI Key: CXYJCQMKGSGTJI-UHFFFAOYSA-N
- SMILES: OC1C(=CC(=CC=1CC)O)CC
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 122
- 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: 2.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,4-Benzenediol, 2,6-diethyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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