4-Hydroxyphthalonitrile

• Catalog Number: ACM30757507-2
• Product Name: 4-Hydroxyphthalonitrile
• CAS: 30757-50-7
• Category: Heterocyclic Organic Compound
• Synonyms: 3,4-Dicyanophenol; 4-hydroxybenzene-1,2-dicarbonitrile
• IUPAC Name: 4-hydroxybenzene-1,2-dicarbonitrile
• Molecular Weight: 144.13
• Molecular Formula: C8H4N2O
• Canonical SMILES: C1=CC(=C(C=C1O)C#N)C#N
• InChI: InChI=1S/C8H4N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H
• InChI Key: FTVOPKROFUTOKY-UHFFFAOYSA-N
• Appearance: Off-yellow powder
• Complexity: 231
• Covalently-Bonded Unit Count: 1
• Exact Mass: 144.032363g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 144.032363g/mol
• Rotatable Bond Count: 0
• XLogP3: 1