| CAS Number | 863488-78-2 |
| Catalog Number | AG01B6GK(AGN-PC-0FL8EF) |
| Chemical Name | 4-[(1-methoxypropan-2-yl)oxy]benzaldehyde |
| IUPAC Name | 4-(1-methoxypropan-2-yloxy)benzaldehyde |
| InChI | InChI=1S/C11H14O3/c1-9(8-13-2)14-11-5-3-10(7-12)4-6-11/h3-7,9H,8H2,1-2H3 |
| InChI Key | HUUDLFUCYVENAB-UHFFFAOYSA-N |
| MDL Number | MFCD19654281 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COCC(C)OC1=CC=C(C=O)C=C1 |
| Synonyms | 4-[(1-methoxypropan-2-yl)oxy]benzaldehyde,
863488-78-2,
AKOS013440300,
4-((1-methoxypropan-2-yl)oxy)benzaldehyde,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number