5-Oxa-2-octyne-1,7-diol

• Catalog Number: ACM1606797-1
• Product Name: 5-Oxa-2-octyne-1,7-diol
• CAS: 1606-79-7
• Category: Heterocyclic Organic Compound
• Synonyms: 4-(2-Hydroxypropoxy)-2-butyn-1-ol
• IUPAC Name: 4-(2-Hydroxypropoxy)but-2-yn-1-ol
• Molecular Weight: 144.17
• Molecular Formula: C7H12O3
• Canonical SMILES: CC(COCC#CCO)O
• InChI: InChI=1S/C7H12O3/c1-7(9)6-10-5-3-2-4-8/h7-9H,4-6H2,1H3
• InChI Key: GFDLMAQAFYECMB-UHFFFAOYSA-N
• Boiling Point: 285.2±20.0 °C
• Density: 1.07-1.09(20°C)
• Appearance: Liquid
• Storage: Sealed in dry, 2-8 °C
• Exact Mass: 144.078644241
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Monoisotopic Mass: 144.078644241
• Physical State: Liquid
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 49.7 Ų