| CAS Number | 78999-24-3 |
| Catalog Number | AG008NCB(AGN-PC-0NF9RI) |
| Chemical Name | 5-(Benzyloxy)pentanal |
| IUPAC Name | 5-phenylmethoxypentanal |
| InChI | InChI=1S/C12H16O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-9H,2,5-6,10-11H2 |
| InChI Key | KDNUJAZVJXKPNI-UHFFFAOYSA-N |
| MDL Number | MFCD09831904 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | O=CCCCCOCC1=CC=CC=C1 |
| Synonyms | 5-(BENZYLOXY)PENTANAL,
78999-24-3,
Pentanal, 5-(phenylmethoxy)-,
5-phenylmethoxypentanal,
5-Benzyloxy-penta,
7-phenyl-6-oxaheptanal,
7-phenyl-6-oxaheptan-1-al,
SCHEMBL713499,
CTK2G4664,
DTXSID70453822,
KDNUJAZVJXKPNI-UHFFFAOYSA-N,
MFCD09831904,
ZINC34622366,
AKOS006326633,
DA-03285,
FT-0725056,
Z-9181,
A839547,
CID11063258,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number