cis-1,4-Cyclohexanediol

• Catalog Number: ACM-MO-931715
• Product Name: cis-1,4-Cyclohexanediol
• CAS: 931-71-5
• Category: Heterocyclic Organic Compound
• Synonyms: cis-1,4-Dihydroxycyclohexane
• IUPAC Name: cyclohexane-1,4-diol
• Molecular Weight: 116.16 g/mol
• Molecular Formula: C6H12O2
• Canonical SMILES: C1CC(CCC1O)O
• InChI: InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
• InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N
• Boiling Point: 150 ºC
• Melting Point: 110 °C
• Flash Point: 65 ºC
• Appearance: White to Almost White Powder to Crystal
• Complexity: 54.9
• Covalently-Bonded Unit Count: 1
• EC Number: 209-126-2;213-240-8;615-039-4
• Exact Mass: 116.08373g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 8
• Monoisotopic Mass: 116.08373g/mol
• NSC Number: 5730;5651
• Physical State: Solid
• Rotatable Bond Count: 0
• XLogP3: 0.2