Cas no 287492-06-2 (Acetonitrile,2-hydroxy-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-)
287492-06-2 structure
Product Name:Acetonitrile,2-hydroxy-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-
CAS No:287492-06-2
MF:C8H5NO2
MW:147.130801916122
CID:248769
PubChem ID:45082850
Update Time:2025-04-19
Acetonitrile,2-hydroxy-2-(6-oxo-2,4-cyclohexadien-1-ylidene)- Chemical and Physical Properties
Names and Identifiers
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- Acetonitrile,2-hydroxy-2-(6-oxo-2,4-cyclohexadien-1-ylidene)-
- Acetonitrile,hydroxy(6-oxo-2,4-cyclohexadien-1-ylidene)- (9CI)
- 287492-06-2
- o-Hydroxy-benzoylcyanid
- ACETONITRILE,HYDROXY(6-OXO-2,4-CYCLOHEXADIEN-1-YLIDENE)-
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- Inchi： 1S/C8H5NO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H
- InChI Key： ASKGXAONDBFRCW-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C(C#N)=O
Computed Properties
- Exact Mass: 147.03205
- Monoisotopic Mass: 147.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 203
- 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: 61.1A^2
Experimental Properties
- PSA: 61.09
Acetonitrile,2-hydroxy-2-(6-oxo-2,4-cyclohexadien-1-ylidene)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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