Cas no 142169-23-1 (2,4-Benzodioxepin,3-ethenyl-1,5-dihydro-)
142169-23-1 structure
Product Name:2,4-Benzodioxepin,3-ethenyl-1,5-dihydro-
CAS No:142169-23-1
MF:C11H12O2
MW:176.211783409119
CID:101225
PubChem ID:11769075
Update Time:2025-04-18
2,4-Benzodioxepin,3-ethenyl-1,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Benzodioxepin,3-ethenyl-1,5-dihydro-
- 3-ethenyl-1,5-dihydro-2,4-benzodioxepine
- SCHEMBL9239431
- 3-Vinyl-1,5-dihydro-3H-2,4-benzodioxepine
- DTXSID00472102
- AKOS006279249
- 3-vinyl-1,5-dihydro-3h-2,4-benzodiox-epine
- 142169-23-1
-
- Inchi： 1S/C11H12O2/c1-2-11-12-7-9-5-3-4-6-10(9)8-13-11/h2-6,11H,1,7-8H2
- InChI Key： PQAODJNNLDUKSA-UHFFFAOYSA-N
- SMILES： O1C(C=C)OCC2C=CC=CC=2C1
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 163
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
2,4-Benzodioxepin,3-ethenyl-1,5-dihydro- Related Literature
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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