trans-1,3-Cyclohexanediol

• CAS: 5515-64-0
• Catalog Number: ACM-MO-5515640
• Category: Other Products; Diol Monomers
• Molecular Weight: 116.16 g/mol
• Molecular Formula: C6H12O2
• Synonyms: trans-1,3-Dihydroxycyclohexane
• IUPAC Name: cyclohexane-1,3-diol
• Canonical SMILES: C1CC(CC(C1)O)O
• InChI: InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
• InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N
• Boiling Point: 135 °C/13 mmHg
• Melting Point: 115 °C
• Appearance: White to Almost White Powder to Crystal
• Complexity: 64.9
• Covalently-Bonded Unit Count: 1
• EC Number: 207-979-5
• 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: 30235
• Physical State: Solid
• Rotatable Bond Count: 0
• XLogP3: 0.2