| CAS Number | 681443-02-7 |
| Catalog Number | AG005ZHO(AGN-PC-0LNDVW) |
| Chemical Name | 3-(Tert-butyl)-4-ethoxybenzaldehyde |
| IUPAC Name | 3-tert-butyl-4-ethoxybenzaldehyde |
| InChI | InChI=1S/C13H18O2/c1-5-15-12-7-6-10(9-14)8-11(12)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChI Key | DPWPVBWJIABALM-UHFFFAOYSA-N |
| MDL Number | MFCD02380390 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | C1(C=C(C=CC=1OCC)C=O)C(C)(C)C |
| Synonyms | 3-(TERT-BUTYL)-4-ETHOXYBENZALDEHYDE,
681443-02-7,
3-tert-butyl-4-ethoxybenzaldehyde,
BENZALDEHYDE, 3-(1,1-DIMETHYLETHYL)-4-ETHOXY-,
AC1NOU26,
CTK5C7399,
DTXSID80408747,
ZINC5653790,
8042AE,
AKOS005291340,
AJ-54501,
TR-070272,
4-ethoxy-3-tert-butyl-benzaldehyde,
C13H18O2,
CID5144239,
Benzaldehyde, 3-(1,1-dimethylethyl)-4-ethoxy- (9CI),
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number