Cas no 123769-39-1 (Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)-)
123769-39-1 structure
Product Name:Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)-
CAS No:123769-39-1
MF:C17H16O4
MW:284.306545257568
CID:145864
PubChem ID:767036
Update Time:2025-04-19
Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)-
- 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-methoxyphenyl)methanone
- Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)-
- Oprea1_451826
- 2H-1,5-Benzodioxepine, 3,4-dihydro-7-(p-methoxybenzoyl)-
- AKOS000605748
- 123769-39-1
- Oprea1_553825
- BRN 3622600
- (3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)methanone
- DTXSID20154079
-
- Inchi： 1S/C17H16O4/c1-19-14-6-3-12(4-7-14)17(18)13-5-8-15-16(11-13)21-10-2-9-20-15/h3-8,11H,2,9-10H2,1H3
- InChI Key： GFEQLTPWWIGBNK-UHFFFAOYSA-N
- SMILES： O1C2C=C(C(C3C=CC(=CC=3)OC)=O)C=CC=2OCCC1
Computed Properties
- Exact Mass: 284.10488
- Monoisotopic Mass: 284.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 349
- 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: 2.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)- 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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
123769-39-1 (Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-methoxyphenyl)-) Related Products
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