| CAS Number | 26060-56-0 |
| Catalog Number | AG00C37I(AGN-PC-0JOXIJ) |
| Chemical Name | AcetophenoneO-Benzoyloxime |
| IUPAC Name | [(E)-1-phenylethylideneamino] benzoate |
| 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 |
| MDL Number | MFCD28100816 |
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.2692 |
| NSC Number | 255227 |
| SMILES | O=C(ON=C(C=1C=CC=CC1)C)C=2C=CC=CC2 |
| Synonyms | Acetophenone o-benzoyloxime,
26060-56-0,
AC1NZ67I,
SCHEMBL92080,
CHEMBL359869,
DTXSID30421325,
KLJLQTJYNGGTIU-FOWTUZBSSA-N,
MFCD28100816,
NSC255227,
NSC-255227,
[(E)-1-phenylethylideneamino] benzoate,
(1E)-1-Phenylethanone o-benzoyloxime #,
CID5900887,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 239.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.274g/mol |
| Monoisotopic Mass | 239.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number