Ptaeroglycol

Base Information

• Chemical Name: Ptaeroglycol
• CAS No.: 18836-12-9
• Molecular Formula: C15H14O6
• Molecular Weight: 290.2681
• DSSTox Substance ID: DTXSID50331699
• Nikkaji Number: J15.546B
• Wikidata: Q27108117
• Metabolomics Workbench ID: 69061
• Mol file: 18836-12-9.mol

Synonyms:Ptaeroglycol;18836-12-9;5,8-dihydroxy-8-(hydroxymethyl)-2-methyl-9H-pyrano[3,2-h][1]benzoxepin-4-one;C09030;AC1L9C1N;Pteroglycol;CTK8H3989;CHEBI:8624;DTXSID50331699;Q27108117;8,9-Dihydro-5,8-dihydroxy-8-hydroxymethyl-2-methyl-4H-pyrano[3,2-h][1]benzoxepin-4-one

Chemical Property of Ptaeroglycol

Chemical Property:

• Vapor Pressure: 2.94E-13mmHg at 25°C
• Boiling Point: 557.4°Cat760mmHg
• Flash Point: 214°C
• PSA: 100.13000
• Density: 1.477g/cm³
• LogP: 0.93600
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 290.07903816
• Heavy Atom Count: 21
• Complexity: 498

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OCC(C=C3)(CO)O)O

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