| CAS Number | 1864072-82-1 |
| Catalog Number | AG01AN1L |
| Chemical Name | 2-methoxy-3-methylpentanal |
| IUPAC Name | 2-methoxy-3-methylpentanal |
| InChI | InChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3 |
| InChI Key | RGNLXKQOCWDZPK-UHFFFAOYSA-N |
| MDL Number | MFCD29034109 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | CCC(C(C=O)OC)C |
| Synonyms | 2-methoxy-3-methylpentanal,
1864072-82-1,
SCHEMBL4042483,
|
| Complexity | 81 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.187g/mol |
| Monoisotopic Mass | 130.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number