| CAS Number | 210694-04-5 |
| Catalog Number | AG01DW7U(AGN-PC-03F6RV) |
| Chemical Name | 4-(2,2-Dimethylpropoxy)benzaldehyde |
| IUPAC Name | 4-(2,2-dimethylpropoxy)benzaldehyde |
| InChI | InChI=1S/C12H16O2/c1-12(2,3)9-14-11-6-4-10(8-13)5-7-11/h4-8H,9H2,1-3H3 |
| InChI Key | IWSDOZWCBWRXEV-UHFFFAOYSA-N |
| MDL Number | MFCD24675074 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC(COC1=CC=C(C=O)C=C1)(C)C |
| Synonyms | 4-(neopentyloxy)benzaldehyde,
4-(2,2-dimethylpropoxy)benzaldehyde,
210694-04-5,
SCHEMBL16901826,
IWSDOZWCBWRXEV-UHFFFAOYSA-N,
ZINC163831782,
|
| Complexity | 173 |
| 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 | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number