| CAS Number | 117241-32-4 |
| Catalog Number | AG00IML7(AGN-PC-0NZ81E) |
| Chemical Name | Benzaldehyde, 3,4,5-tris(dodecyloxy)- |
| IUPAC Name | 3,4,5-tridodecoxybenzaldehyde |
| InChI | InChI=1S/C43H78O4/c1-4-7-10-13-16-19-22-25-28-31-34-45-41-37-40(39-44)38-42(46-35-32-29-26-23-20-17-14-11-8-5-2)43(41)47-36-33-30-27-24-21-18-15-12-9-6-3/h37-39H,4-36H2,1-3H3 |
| InChI Key | ABDPYSIFPMBTOS-UHFFFAOYSA-N |
| MDL Number | MFCD29917550 |
| Molecular Formula | C43H78O4 |
| Molecular Weight | 659.0770 |
| SMILES | O=CC1=CC(OCCCCCCCCCCCC)=C(OCCCCCCCCCCCC)C(OCCCCCCCCCCCC)=C1 |
| Synonyms | 3,4,5-tris(dodecyloxy)benzaldehyde,
117241-32-4,
SCHEMBL1201058,
MFCD29917550,
T3624,
Benzaldehyde, 3,4,5-tris(dodecyloxy)-,
|
| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 658.59g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 659.093g/mol |
| Monoisotopic Mass | 658.59g/mol |
| Rotatable Bond Count | 37 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 18 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number