5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, monoester with 2-ethyl-1,3-hexanediol

Base Information

• Chemical Name: 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, monoester with 2-ethyl-1,3-hexanediol
• CAS No.: 71550-38-4
• Molecular Formula: C17H20O7
• Molecular Weight: 320.34
• Wikidata: Q76280000
• Mol file: 71550-38-4.mol

Synonyms:Trimellitic anhydride, monoester with 2-ethyl-1,3-hexanediol;71550-38-4;5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, monoester with 2-ethyl-1,3-hexanediol

Chemical Property of 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, monoester with 2-ethyl-1,3-hexanediol

Chemical Property:

• Vapor Pressure: 7.78E-13mmHg at 25°C
• Boiling Point: 547.8°C at 760 mmHg
• Flash Point: 199.1°C
• PSA: 110.13000
• Density: 1.333g/cm³
• LogP: 1.65960
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 336.12090297
• Heavy Atom Count: 24
• Complexity: 489

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C(CC)C(O)OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O)O
• Isomeric SMILES: CCC[C@H]([C@@H](CC)[C@@H](O)OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O)O

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