Cas no 2902-64-9 (5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, methyl ester)
2902-64-9 structure
Product Name:5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, methyl ester
5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, methyl ester
- methyl 1,3-dioxo-2-benzofuran-5-carboxylate
- Methyl 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylate
- Methyl 1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate
- methyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate
- Trimellitic anhydride methyl ester
- Methyl 1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate
- 2902-64-9
- DTXSID4062692
- EINECS 220-796-5
- NS00028601
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
- SCHEMBL1535306
-
- Inchi： 1S/C10H6O5/c1-14-8(11)5-2-3-6-7(4-5)10(13)15-9(6)12/h2-4H,1H3
- InChI Key： JWKWYRVXHBOBRF-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(C(=O)OC)=CC=2C1=O)=O
Computed Properties
- Exact Mass: 206.02148
- Monoisotopic Mass: 206.022
- 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
- Topological Polar Surface Area: 69.7A^2
- XLogP3: 1.1
Experimental Properties
- Density: 1.467
- Boiling Point: 388.1°Cat760mmHg
- Flash Point: 177.4°C
- Refractive Index: 1.59
- PSA: 69.67
5-Isobenzofurancarboxylicacid, 1,3-dihydro-1,3-dioxo-, methyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
2902-64-9 (5-Isobenzofurancarboxylicacid, 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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