Cas no 90972-04-6 (4-ethyl-3-hydroxy-benzonitrile)
90972-04-6 structure
Product Name:4-ethyl-3-hydroxy-benzonitrile
4-ethyl-3-hydroxy-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-ethyl-3-hydroxy-benzonitrile
- 3-Hydroxy-4-aethyl-benzonitril
- 4-Aethyl-3-hydroxy-benzoesaeure
- 4-Aethyl-3-hydroxy-benzonitril
- 4-Et-3-OHC6H3CO2H
- Benzoic acid,4-ethyl-3-hydroxy
- NSC148321
- NSC-148321
- 90972-04-6
- 4-ethyl-3-hydroxybenzonitrile
- DTXSID80920030
- SCHEMBL24440255
- MB23779
-
- Inchi： 1S/C9H9NO/c1-2-8-4-3-7(6-10)5-9(8)11/h3-5,11H,2H2,1H3
- InChI Key： VEOXBALAKOUEOA-UHFFFAOYSA-N
- SMILES： OC1C=C(C#N)C=CC=1CC
Computed Properties
- Exact Mass: 147.06800
- Monoisotopic Mass: 147.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 170
- 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: 2.1
- Topological Polar Surface Area: 44?2
Experimental Properties
- Density: 1.13
- Boiling Point: 277.3°C at 760 mmHg
- Flash Point: 121.5°C
- Refractive Index: 1.561
- PSA: 44.02000
- LogP: 1.82628
4-ethyl-3-hydroxy-benzonitrile Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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