Cas no 13777-90-7 (3H-Cyclopent[e]azulene)
![3H-Cyclopent[e]azulene structure](https://ossimg.kuujia.com/scimg/14000/13777-90-7x500.png)
3H-Cyclopent[e]azulene structure
Product Name:3H-Cyclopent[e]azulene
CAS No:13777-90-7
MF:C13H10
MW:166.218503475189
CID:1246393
PubChem ID:13156502
Update Time:2025-04-20
3H-Cyclopent[e]azulene Chemical and Physical Properties
Names and Identifiers
-
- 3H-Cyclopent[e]azulene
- 7H-cyclopenta[e]azulene
- 3H-CYCLOPENTA[E]AZULENE
- DTXSID10522900
- 13777-90-7
-
- Inchi： 1S/C13H10/c1-4-10-6-2-8-12(10)13-9-3-7-11(13)5-1/h1-6,8-9H,7H2
- InChI Key： BJESAEARLCEYSG-UHFFFAOYSA-N
- SMILES： C12C=CCC=1C=CC=C1C=CC=C21
Computed Properties
- Exact Mass: 166.0783
- Monoisotopic Mass: 166.078250319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 216
- 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: 0?2
Experimental Properties
- PSA: 0
3H-Cyclopent[e]azulene 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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