Cas no 127311-88-0 (4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)- (9CI))
127311-88-0 structure
Product Name:4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)- (9CI)
CAS No:127311-88-0
MF:C11H12O6
MW:240.209383964539
CID:188006
PubChem ID:3080109
Update Time:2025-04-19
4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)- (9CI)
- 4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)...
- 5-endo-(Ethoxycarbonyl)endothall anhydride
- 4,7-Epoxyisobenzofuran-5-carboxylic acid, octahydro-1,3-dioxo-, ethyl ester, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
- ethyl (3aR,4S,5R,7R,7aS)-1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylate
- DTXSID50925850
- 127311-88-0
- Ethyl 1,3-dioxooctahydro-4,7-epoxy-2-benzofuran-5-carboxylate
-
- Inchi： 1S/C11H12O6/c1-2-15-9(12)4-3-5-6-7(8(4)16-5)11(14)17-10(6)13/h4-8H,2-3H2,1H3/t4-,5-,6-,7-,8+/m1/s1
- InChI Key： ZIYLSFYPPOEDQP-PVFLNQBWSA-N
- SMILES： O1[C@@H]2C[C@@H](C(=O)OCC)[C@H]1[C@@H]1C(=O)OC([C@H]21)=O
Computed Properties
- Exact Mass: 240.06336
- Monoisotopic Mass: 240.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.3
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- Density: 1.424
- Boiling Point: 403.9°Cat760mmHg
- Flash Point: 183.3°C
- Refractive Index: 1.529
- PSA: 78.9
4,7-Epoxyisobenzofuran-5-carboxylicacid, octahydro-1,3-dioxo-, ethyl ester, (3aa,4b,5a,7b,7aa)- (9CI) Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
2. 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
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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