Acetophenone O-Benzoyloxime
Product Information
Molecular Formula
C15H13NO2
Molecular Weight
239.27
Description
Acetophenone O-Benzoyloxime is a multifaceted compound widely employed in the biomedicine sector and assumes pivotal significance due to its indispensable involvement in the synthesis of diverse pharmaceutical agents, specifically tailored for combatting neurological disorders, cancer, and infectious ailments. Thus, its profound versatility substantiates its indispensability as a constituent for manufacturing imperative life-preserving medications.
Synonyms
[(E)-1-phenylethylideneamino] benzoate; Acetophenoneo-benzoyloxime; (1E)-1-Phenylethanone o-benzoyloxime
IUPAC Name
[(E)-1-phenylethylideneamino] benzoate
SMILES
CC(=NOC(=O)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H13NO2/c1-12(13-8-4-2-5-9-13)16-18-15(17)14-10-6-3-7-11-14/h2-11H,1H3/b16-12+
InChI Key
KLJLQTJYNGGTIU-FOWTUZBSSA-N
Melting Point
100 °C
Purity
>98.0%(HPLC)(N)
Appearance
White to Almost white powder to crystal
Computed Properties
XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
239.094628657 g/mol
Monoisotopic Mass
239.094628657 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
300
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
