| CAS Number | 1057670-80-0 |
| Catalog Number | AG01DX9G |
| Chemical Name | 2-(2-methylphenyl)propanedial |
| IUPAC Name | 2-(2-methylphenyl)propanedial |
| InChI | InChI=1S/C10H10O2/c1-8-4-2-3-5-10(8)9(6-11)7-12/h2-7,9H,1H3 |
| InChI Key | CBVRRABIGUKDLX-UHFFFAOYSA-N |
| MDL Number | MFCD12545735 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | CC1=C(C(C=O)C=O)C=CC=C1 |
| Synonyms | 2-(2-METHYLPHENYL)PROPANEDIAL,
1057670-80-0,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number