Cas no 65399-04-4 (4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester)
65399-04-4 structure
Product Name:4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS No:65399-04-4
MF:C10H6O5
MW:206.151643276215
CID:399506
PubChem ID:11217988
Update Time:2025-04-19
4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
- methyl 1,3-dioxo-2-benzofuran-4-carboxylate
- 65399-04-4
- DTXSID70459066
-
- Inchi： 1S/C10H6O5/c1-14-8(11)5-3-2-4-6-7(5)10(13)15-9(6)12/h2-4H,1H3
- InChI Key： CQFDCNZQFCYRDR-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=C(C(=O)OC)C=2C1=O)=O
Computed Properties
- Exact Mass: 206.02148
- Monoisotopic Mass: 206.02152329g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 322
- 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: 1.1
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
65399-04-4 (4-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester) Related Products
- 2528-16-7(Monobenzyl phthalate)
- 87-41-2(Phthalide)
- 19438-61-0(4-Methylphthalic anhydryde)
- 33499-42-2(Ethyl 2,4-dimethylbenzoate)
- 87-24-1(Ethyl 2-methylbenzoate)
- 1754-55-8(Ethyl 2,4,6-trimethylbenzoate)
- 4792-30-7(4-Methylisobenzofuran-1,3-dione)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 552-30-7(Trimellitic Anhydride)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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