| CAS Number | 1268267-77-1 |
| Catalog Number | AG01DYMY |
| Chemical Name | 2-(2-Methylpropyl)benzaldehyde |
| IUPAC Name | 2-(2-methylpropyl)benzaldehyde |
| InChI | InChI=1S/C11H14O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,8-9H,7H2,1-2H3 |
| InChI Key | PESCNKPSEKLCQO-UHFFFAOYSA-N |
| MDL Number | MFCD19598737 |
| Molecular Formula | C11H14O |
| Molecular Weight | 162.2283 |
| SMILES | CC(CC1=C(C=O)C=CC=C1)C |
| Synonyms | 2-(2-methylpropyl)benzaldehyde,
1268267-77-1,
SCHEMBL548215,
AKOS013202810,
2-isopentylbenzaldehyde,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.232g/mol |
| Monoisotopic Mass | 162.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number