1,3-Dihydroxyadamantane

• CAS: 5001-18-3
• Catalog Number: ACM5001183
• Category: Other Products
• Molecular Weight: 168.23g/mol
• Molecular Formula: C10H16O2
• IUPAC Name: adamantane-1,3-diol
• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)O)O
• InChI: InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
• InChI Key: MOLCWHCSXCKHAP-UHFFFAOYSA-N
• Complexity: 190
• Covalently-Bonded Unit Count: 1
• Exact Mass: 168.11503g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 168.11503g/mol
• Rotatable Bond Count: 0
• XLogP3: 0.8