AcetophenoneO-Benzoyloxime

CAT: 0127-OR1042944-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1042944-01Size:1 g

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CAS Number

26060-56-0

Purity

98.0%

Smiles

O=C(c1ccccc1)ON=C(c1ccccc1)C

Chemical Information

Acetophenone o-benzoyloxime

CAS Number	26060-56-0
PubChem CID	5900887
IUPAC Name	[(E)-1-phenylethylideneamino] benzoate
Molecular Formula	C15H13NO2
Molecular Weight	239.27
XLogP	3.6
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	300

SMILES

C/C(=N\OC(=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+

InChIKey

KLJLQTJYNGGTIU-FOWTUZBSSA-N

Chemical Structure

2D Structure

CAS: 26060-56-0

CID: 5900887

Formula: C15H13NO2

MW: 239.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.27
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	239.094628657
Monoisotopic Mass	239.094628657
Topological Polar Surface Area	38.7 Å²
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

Catalog	Name
BUP18875-01	Acetophenone
OR1012200-01	Acetophenone
OR1030736-01	Acetophenone
OR1037109	Acetophenone-13C6
OR1035859	Acetophenone-13C
DE2026	Acetophenone-D8
OR400536-01	2'- (Methylsulfonyl) acetophenone
PC3821-01	3'- (Trifluoromethylthio) acetophenone
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC8042-01	4'- (Trifluoromethylthio) acetophenone