| CAS Number | 1518035-03-4 |
| Catalog Number | AG01C7AX |
| Chemical Name | 4-cyclopropyl-3-methylbenzaldehyde |
| IUPAC Name | 4-cyclopropyl-3-methylbenzaldehyde |
| InChI | InChI=1S/C11H12O/c1-8-6-9(7-12)2-5-11(8)10-3-4-10/h2,5-7,10H,3-4H2,1H3 |
| InChI Key | ROSGFIPJFBRBNJ-UHFFFAOYSA-N |
| MDL Number | MFCD24107865 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | CC1=C(C2CC2)C=CC(C=O)=C1 |
| Synonyms | 4-cyclopropyl-3-methylbenzaldehyde,
1518035-03-4,
AKOS020025787,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number