Cas no 897-16-5 ((2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile)
897-16-5 structure
Product Name:(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile
(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-naphthalen-1-ylacetonitrile
- NSC-406638
- NSC406638
- 897-16-5
- DTXSID00324399
- (2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile
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- Inchi: 1S/C18H12N2O/c19-12-18(14-8-10-15(20-21)11-9-14)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21H/b18-14-,20-15+
- InChI Key: LDOFYDOKXUBHHJ-FTUXADHQSA-N
- SMILES: ON=C1C=CC(C=C1)=C(C#N)C1=CC=CC2C=CC=CC1=2 |c:1,8|
Computed Properties
- Exact Mass: 272.095
- Monoisotopic Mass: 272.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 555
- 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: 3.7
- Topological Polar Surface Area: 56.4?2
Experimental Properties
- Density: 1.15
- Boiling Point: 497.3°C at 760 mmHg
- Flash Point: 254.5°C
- Refractive Index: 1.628
- PSA: 56.38000
- LogP: 4.07318
(2Z)-[(4Z)-4-(Hydroxyimino)cyclohexa-2,5-dien-1-ylidene](naphthalen-1-yl)acetonitrile Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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3. 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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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