Cas no 102879-40-3 (Ethanone,1-(4-amino-3-hydroxy-5-methylphenyl)-)
102879-40-3 structure
Product Name:Ethanone,1-(4-amino-3-hydroxy-5-methylphenyl)-
CAS No:102879-40-3
MF:C9H11NO2
MW:165.189142465591
CID:125336
PubChem ID:76851786
Update Time:2024-03-05
Ethanone,1-(4-amino-3-hydroxy-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone,1-(4-amino-3-hydroxy-5-methylphenyl)-
- Acetophenone,4'-amino-3'-hydroxy-5'-methyl- (6CI)
- 1-(4-amino-3-hydroxy-5-methyl-phenyl)-ethanone
- Acetophenone, 4-amino-3-hydroxy-5-methyl- (6CI)
- Ethanone, 1-(4-amino-3-hydroxy-5-methylphenyl)-
- 1-(4-amino-3-hydroxy-5-methylphenyl)ethanone
- 102879-40-3
-
- Inchi： 1S/C9H11NO2/c1-5-3-7(6(2)11)4-8(12)9(5)10/h3-4,12H,10H2,1-2H3
- InChI Key： JUNXFZSUEHDGMX-UHFFFAOYSA-N
- SMILES： C(=O)(C1=CC(C)=C(N)C(O)=C1)C
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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
- Topological Polar Surface Area: 63.3A^2
- XLogP3: 0.9
Experimental Properties
- PSA: 63.32
- LogP: 2.06660
Ethanone,1-(4-amino-3-hydroxy-5-methylphenyl)- 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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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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