Cas no 16529-08-1 (1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro-)
16529-08-1 structure
Product Name:1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro-
CAS No:16529-08-1
MF:C10H12O3
MW:180.200483322144
CID:1344137
PubChem ID:54179901
Update Time:2025-04-20
1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro-
- 4-ethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
- 16529-08-1
- DTXSID50709576
- SCHEMBL9619474
-
- Inchi： 1S/C10H12O3/c1-2-6-4-3-5-7-8(6)10(12)13-9(7)11/h3-4,6-8H,2,5H2,1H3
- InChI Key： PBBJRMNYRDRNRI-UHFFFAOYSA-N
- SMILES： O1C(C2CC=CC(CC)C2C1=O)=O
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
16529-08-1 (1,3-Isobenzofurandione, 4-ethyl-3a,4,7,7a-tetrahydro-) Related Products
- 826-62-0(Nadic anhydride)
- 129-64-6(Carbic anhydride)
- 85-43-8(1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)
- 26544-38-7(Dihydro-3-(tetrapropenyl)-2,5-furandione)
- 26590-20-5(Methyltetrahydrophthalic anhydride)
- 5048-50-0(Diethyl trans-4-Cyclohexene-1,2-dicarboxylate)
- 5333-84-6(3-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride)
- 935-79-5((3aR,7aS)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione)
- 28928-97-4(Nonenylsuccinic anhydride)
- 25377-73-5(Dodecenylsuccinic anhydride)
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