| CAS Number | 883531-90-6 |
| Catalog Number | AG01B5AL |
| Chemical Name | 2-Methyl-4-propoxybenzaldehyde |
| IUPAC Name | 2-methyl-4-propoxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-3-6-13-11-5-4-10(8-12)9(2)7-11/h4-5,7-8H,3,6H2,1-2H3 |
| InChI Key | WGTVGFZUHDIYSW-UHFFFAOYSA-N |
| MDL Number | MFCD06248396 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CCCOC1=CC(C)=C(C=O)C=C1 |
| Synonyms | 2-methyl-4-propoxybenzaldehyde,
883531-90-6,
2-Methyl-4-n-propoxybenzaldehyde,
SCHEMBL3725442,
WGTVGFZUHDIYSW-UHFFFAOYSA-N,
Benzaldehyde, 2-methyl-4-propoxy-,
ZINC66325776,
AKOS015890885,
I01-8655,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number