1-Methylethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate

Base Information

• Chemical Name: 1-Methylethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate
• CAS No.: 85237-89-4
• Molecular Formula: C13H16 O7
• Molecular Weight: 284.26194
• European Community (EC) Number: 286-452-1
• DSSTox Substance ID: DTXSID801005732
• Nikkaji Number: J307.626A
• Mol file: 85237-89-4.mol

Synonyms:85237-89-4;1-Methylethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate;EINECS 286-452-1;KUXMLWMHNHWAKG-UHFFFAOYSA-N;DTXSID801005732;NS00064774;Propan-2-yl 3-acetyl-4-hydroxy-5-oxo-2-(2-oxopropyl)-2,5-dihydrofuran-2-carboxylate

Chemical Property of 1-Methylethyl 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-(2-oxopropyl)-2-furoate

Chemical Property:

• Vapor Pressure: 6.36E-11mmHg at 25°C
• Boiling Point: 472.7°C at 760 mmHg
• Flash Point: 178°C
• PSA: 106.97000
• Density: 1.325g/cm³
• LogP: 0.61380
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 284.08960285
• Heavy Atom Count: 20
• Complexity: 515

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C1(C(=C(C(=O)O1)O)C(=O)C)CC(=O)C

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