| CAS Number | 6161-69-9 |
| Catalog Number | AG01B7IE(AGN-PC-0ODFJD) |
| Chemical Name | 2-ethyl-4-methoxybenzaldehyde |
| IUPAC Name | 2-ethyl-4-methoxybenzaldehyde |
| InChI | InChI=1S/C10H12O2/c1-3-8-6-10(12-2)5-4-9(8)7-11/h4-7H,3H2,1-2H3 |
| InChI Key | KNZNOAUEHPPANO-UHFFFAOYSA-N |
| MDL Number | MFCD06247459 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | c1c(cc(c(c1)C=O)CC)OC |
| Synonyms | 2-ethyl-4-methoxybenzaldehyde,
6161-69-9,
SCHEMBL15935610,
ZINC75546163,
AKOS022636803,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number