Cas no 7191-13-1 (1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide)
7191-13-1 structure
Product Name:1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide
CAS No:7191-13-1
MF:C9H11O3P
MW:198.155603647232
CID:544829
PubChem ID:602089
Update Time:2025-04-19
1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide
- 2-Phenyl-1,3,2-dioxaphosphorinane 2-oxide
- 2-phenyl-1,3,2λ<sup>5</sup>-dioxaphosphinane 2-oxide
- 2-Phenyl-1,3,2-dioxaphosphinane 2-oxide #
- Phosphonic acid, phenyl-, cyclic trimethylene ester
- 7191-13-1
- SCHEMBL3453682
- DTXSID40345144
- FHNUFHJKOSDXNI-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11O3P/c10-13(11-7-4-8-12-13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key： FHNUFHJKOSDXNI-UHFFFAOYSA-N
- SMILES： P1(C2C=CC=CC=2)(=O)OCCCO1
Computed Properties
- Exact Mass: 198.04463
- Monoisotopic Mass: 198.04458121g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 201
- 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: 1.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
7191-13-1 (1,3,2-Dioxaphosphorinane, 2-phenyl-, 2-oxide) Related Products
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