Cas no 479252-70-5 (Quinolin-5-yl acetate)
Quinolin-5-yl acetate structure
Product Name:Quinolin-5-yl acetate
CAS No:479252-70-5
MF:C11H9NO2
MW:187.194662809372
CID:1021777
Update Time:2023-08-02
Quinolin-5-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- 5-Quinolinol,acetate(ester)(9CI)
- quinolin-5-yl acetate
- 5-Acetyloxyquinoline
- 5-Quinolinyl acetate
- 5-Quinolinol, 5-acetate
- VEDCMAJBWBCFRD-UHFFFAOYSA-N
- Quinolin-5-yl acetate
-
- Inchi： 1S/C11H9NO2/c1-8(13)14-11-6-2-5-10-9(11)4-3-7-12-10/h2-7H,1H3
- InChI Key： VEDCMAJBWBCFRD-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=CC2C1=CC=CN=2
Computed Properties
- Exact Mass: 187.063
- Monoisotopic Mass: 187.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 217
- 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: 2.4
- Topological Polar Surface Area: 39.2
Quinolin-5-yl acetate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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