Cas no 23405-31-4 (5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester)
23405-31-4 structure
Product Name:5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester
CAS No:23405-31-4
MF:C11H10O4
MW:206.194703578949
CID:285261
PubChem ID:90088
Update Time:2025-04-19
5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester
- 5-ethoxycarbonylphthalide
- ethyl 1-oxo-3H-2-benzofuran-5-carboxylate
- Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate
- ethyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
- 23405-31-4
- Ethyl 1-oxo-1,3-dihydroisobenzofuran-5-carboxylate
- N8G9NH6C28
- EINECS 245-635-6
- SCHEMBL3039890
- 5-Ethoxycarbonylphthalid
- DTXSID10177959
- RAQLQVDNIKWBRL-UHFFFAOYSA-N
- NS00027412
- Ethyl 1,3-dihydro-1-oxo-5-isobenzofurancarboxylate
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-, ethyl ester
- 5-Ethoxycarbonylphtalide
-
- Inchi： 1S/C11H10O4/c1-2-14-10(12)7-3-4-9-8(5-7)6-15-11(9)13/h3-5H,2,6H2,1H3
- InChI Key： RAQLQVDNIKWBRL-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(C(=O)OCC)=CC=2C1)=O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 274
- 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: 1.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.284
- Boiling Point: 403.7°Cat760mmHg
- Flash Point: 213.7°C
- Refractive Index: 1.56
- PSA: 52.6
5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester 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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
23405-31-4 (5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-, ethyl ester) Related Products
- 2528-16-7(Monobenzyl phthalate)
- 87-41-2(Phthalide)
- 4122-56-9(Methyl 2-formylbenzoate)
- 87-24-1(Ethyl 2-methylbenzoate)
- 89-71-4(Methyl o-toluate)
- 2282-84-0(Methyl 2,4,6-trimethylbenzoate)
- 4792-30-7(4-Methylisobenzofuran-1,3-dione)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 552-30-7(Trimellitic Anhydride)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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