| CAS Number | 882532-99-2 |
| Catalog Number | AG01DWS7(AGN-PC-0A5XJN) |
| Chemical Name | 3-(tert-butyl)-2-methoxybenzaldehyde |
| IUPAC Name | 3-tert-butyl-2-methoxybenzaldehyde |
| InChI | InChI=1S/C12H16O2/c1-12(2,3)10-7-5-6-9(8-13)11(10)14-4/h5-8H,1-4H3 |
| InChI Key | ULCMCQUDKLEZRT-UHFFFAOYSA-N |
| MDL Number | MFCD24677917 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | COC1=C(C(C)(C)C)C=CC=C1C=O |
| Synonyms | 3-(tert-butyl)-2-methoxybenzaldehyde,
882532-99-2,
SCHEMBL2489642,
2-Methoxy-3-tert-butylbenzaldehyde,
|
| Complexity | 193 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number