| CAS Number | 104508-27-2 |
| Catalog Number | AG0085W8(AGN-PC-038456) |
| Chemical Name | 3-(Phenoxymethyl)benzaldehyde |
| IUPAC Name | 3-(phenoxymethyl)benzaldehyde |
| InChI | InChI=1S/C14H12O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-10H,11H2 |
| InChI Key | KZUJGQAFTCDBKA-UHFFFAOYSA-N |
| MDL Number | MFCD09025913 |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.2439 |
| SMILES | O=CC1=CC(COC2=CC=CC=C2)=CC=C1 |
| Synonyms | 3-(phenoxymethyl)benzaldehyde,
104508-27-2,
Benzaldehyde,3-(phenoxymethyl)-,
ACMC-1CADA,
SCHEMBL3083923,
CTK4A3094,
DTXSID70612033,
3-(Phenoxymethyl)benzaldehyde,97%,
MFCD09025913,
SBB094655,
ZINC12370744,
AKOS027383984,
I01-16950,
ACN-039689,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.248g/mol |
| Monoisotopic Mass | 212.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number