Cas no 89-44-1 (Benzenepropanenitrile,2-ethoxy-b-oxo-)
89-44-1 structure
Product Name:Benzenepropanenitrile,2-ethoxy-b-oxo-
CAS No:89-44-1
MF:C11H11NO2
MW:189.210542917252
CID:706981
PubChem ID:24693153
Update Time:2025-04-19
Benzenepropanenitrile,2-ethoxy-b-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,2-ethoxy-b-oxo-
- 2-ETHOXYBENZOYLACETONITRILE
- 3-(2-ethoxyphenyl)-3-oxopropanenitrile
- Benzenepropanenitrile,2-ethoxy-b-oxo
- DTXSID80640766
- SCHEMBL12536449
- 89-44-1
- AKOS000170572
-
- MDL： MFCD07785845
- Inchi： 1S/C11H11NO2/c1-2-14-11-6-4-3-5-9(11)10(13)7-8-12/h3-6H,2,7H2,1H3
- InChI Key： ROCAGPQIOKKIOE-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC=CC=1C(CC#N)=O
Computed Properties
- Exact Mass: 189.07900
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 1.8
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09000
- LogP: 2.18168
Benzenepropanenitrile,2-ethoxy-b-oxo- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
89-44-1 (Benzenepropanenitrile,2-ethoxy-b-oxo-) Related Products
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- 76569-43-2(2,4-Dimethoxy-b-oxo-benzenepropanenitrile)
- 847951-47-7(Benzenepropanenitrile, 2,6-dimethoxy-b-oxo-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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