Cas no 6294-36-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- (6E)-4-(hydroxyamino)-6-(nitrosomethylidene)cyclohexa-2,4-dien-1-one
- NSC9353
- 6294-36-6
- DTXSID00417790
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- Inchi： 1S/C7H6N2O3/c10-7-2-1-6(9-12)3-5(7)4-8-11/h1-4,10-11H
- InChI Key： PFVQEGGNKQIDDS-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C=NO)N=O
Computed Properties
- Exact Mass: 166.03788
- Monoisotopic Mass: 166.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.7
- Topological Polar Surface Area: 82.2?2
Experimental Properties
- PSA: 78.76
Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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