Cas no 52828-01-0 (2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]-)
![2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]- structure](https://ossimg.kuujia.com/scimg/53000/52828-01-0x500.png)
52828-01-0 structure
Product Name:2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]-
CAS No:52828-01-0
MF:C13H11NO
MW:197.232543230057
CID:358692
Update Time:2024-01-28
2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]- Chemical and Physical Properties
Names and Identifiers
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- 2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]-
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- Inchi： 1S/C13H11NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-10,14H
- InChI Key： GVHXCXKLYZOBKS-UHFFFAOYSA-N
- SMILES： C1(=O)C(=CNC2=CC=CC=C2)C=CC=C1
Computed Properties
- Exact Mass: 197.08413
Experimental Properties
- Density: 1.279±0.06 g/cm3(Predicted)
- Boiling Point: 349.2±35.0 °C(Predicted)
- PSA: 29.1
- pka: -0.45±0.20(Predicted)
2,4-Cyclohexadien-1-one, 6-[(phenylamino)methylene]- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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