| CAS Number | 210057-00-4 |
| Catalog Number | AG01FE94(AGN-PC-0N7FZ7) |
| Chemical Name | 3,5-Dimethyl-4-propoxybenzaldehyde |
| IUPAC Name | 3,5-dimethyl-4-propoxybenzaldehyde |
| InChI | InChI=1S/C12H16O2/c1-4-5-14-12-9(2)6-11(8-13)7-10(12)3/h6-8H,4-5H2,1-3H3 |
| InChI Key | TUHCHBABZCTPQT-UHFFFAOYSA-N |
| MDL Number | MFCD06247276 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | c1(c(c(cc(c1)C=O)C)OCCC)C |
| Synonyms | 3,5-DIMETHYL-4-PROPOXYBENZALDEHYDE,
210057-00-4,
CTK6E5692,
ZINC20424512,
AKOS005291696,
3,5-dimethyl-4-(propyloxy)benzaldehyde,
AJ-77475,
TR-070290,
3,5-dimethyl-4-propoxy-benzaldehyde,
4-n-Propoxy-3,5-dimethylbenzaldehyde,
CID10607773,
|
| Complexity | 167 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number