Cas no 53935-68-5 (5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile)
53935-68-5 structure
Product Name:5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile
CAS No:53935-68-5
MF:C12H11NO2
MW:201.221243143082
CID:2831013
PubChem ID:12348713
Update Time:2025-04-21
5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 53935-68-5
- 5,6,7-trimethyl-1-oxo-3H-isobenzofuran-4-carbonitrile
- 5,6,7-Trimethyl-1-oxo-1,3-dihydroisobenzofuran-4-carbonitrile
- DTXSID70493107
- 5,6,7-trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile
- 5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile
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- Inchi： 1S/C12H11NO2/c1-6-7(2)9(4-13)10-5-15-12(14)11(10)8(6)3/h5H2,1-3H3
- InChI Key： WEFSDBFAHVFIHC-UHFFFAOYSA-N
- SMILES： O1C(C2C(C)=C(C)C(C)=C(C#N)C=2C1)=O
Computed Properties
- Exact Mass: 201.078978594Da
- Monoisotopic Mass: 201.078978594Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 330
- 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: 2.2
- Topological Polar Surface Area: 50.1?2
5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
53935-68-5 (5,6,7-Trimethyl-1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile) Related Products
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