1-Phenyl-1,2-propanedione-2-oxime

• CAS: 119-51-7
• Catalog Number: ACM119517
• Category: Other Products
• Molecular Weight: 163.17g/mol
• Molecular Formula: C9H9NO2
• IUPAC Name: (2E)-2-hydroxyimino-1-phenylpropan-1-one
• Canonical SMILES: CC(=NO)C(=O)C1=CC=CC=C1
• InChI: InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+
• InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N
• Melting Point: 114.0 °C
• Complexity: 193
• Covalently-Bonded Unit Count: 1
• EC Number: 204-329-2
• Exact Mass: 163.063329g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 12
• Monoisotopic Mass: 163.063329g/mol
• NSC Number: 5410
• Rotatable Bond Count: 2
• XLogP3: 2.1