4,6-Di(tert-butyl)benzene-1,3-diol

• CAS: 5374-06-1
• Catalog Number: ACM5374061
• Category: Other Products
• Molecular Weight: 222.32g/mol
• Molecular Formula: C14H22O2
• IUPAC Name: 4,6-ditert-butylbenzene-1,3-diol
• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C
• InChI: InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3
• InChI Key: KJFMXIXXYWHFAN-UHFFFAOYSA-N
• Complexity: 210
• Covalently-Bonded Unit Count: 1
• EC Number: 226-366-3
• Exact Mass: 222.16198g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Monoisotopic Mass: 222.16198g/mol
• Rotatable Bond Count: 2
• UNII: 4W0IAD4I0R
• XLogP3: 4.6