| CAS Number | 3132-93-2 |
| Catalog Number | AG00LWV0(AGN-PC-08XZ9E) |
| Chemical Name | 3-ethyl-5-methylbenzaldehyde |
| IUPAC Name | 3-ethyl-5-methylbenzaldehyde |
| InChI | InChI=1S/C10H12O/c1-3-9-4-8(2)5-10(6-9)7-11/h4-7H,3H2,1-2H3 |
| InChI Key | FDXLWSISHOTIEN-UHFFFAOYSA-N |
| MDL Number | MFCD12547782 |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.2017 |
| SMILES | CCC1=CC(C=O)=CC(C)=C1 |
| Synonyms | 5-Ethyl-3-methylbenzaldehyde,
SCHEMBL14017919,
ZINC40571428,
AKOS006346088,
3132-93-2,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.205g/mol |
| Monoisotopic Mass | 148.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number