| CAS Number | 911806-53-6 |
| Catalog Number | AG01BH5X |
| Chemical Name | 4-Methyl-2-phenylpentanal |
| IUPAC Name | 4-methyl-2-phenylpentanal |
| InChI | InChI=1S/C12H16O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3 |
| InChI Key | MXDVKULGFNGWCF-UHFFFAOYSA-N |
| MDL Number | MFCD20862543 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | CC(CC(C1=CC=CC=C1)C=O)C |
| Synonyms | 4-methyl-2-phenylpentanal,
911806-53-6,
SCHEMBL19439529,
AKOS015258391,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.259g/mol |
| Monoisotopic Mass | 176.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number