1,3,5-Benzenetrimethanol

• Catalog Number: ACM4464180
• Product Name: 1,3,5-Benzenetrimethanol
• CAS: 4464-18-0
• Category: Heterocyclic Organic Compound
• IUPAC Name: [3,5-bis(hydroxymethyl)phenyl]methanol
• Molecular Weight: 168.19g/mol
• Molecular Formula: C9H12O3
• Canonical SMILES: C1=C(C=C(C=C1CO)CO)CO
• InChI: InChI=1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
• InChI Key: SQAMZFDWYRVIMG-UHFFFAOYSA-N
• Complexity: 91.2
• Covalently-Bonded Unit Count: 1
• Exact Mass: 168.078644g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 12
• Monoisotopic Mass: 168.078644g/mol
• Rotatable Bond Count: 3
• XLogP3: -0.7