| CAS Number | 1541653-29-5 |
| Catalog Number | AG01BTLA |
| Chemical Name | 3-(2-methylpropyl)oxan-4-one |
| IUPAC Name | 3-(2-methylpropyl)oxan-4-one |
| InChI | InChI=1S/C9H16O2/c1-7(2)5-8-6-11-4-3-9(8)10/h7-8H,3-6H2,1-2H3 |
| InChI Key | HKJSPEXJVDNONX-UHFFFAOYSA-N |
| MDL Number | MFCD30723973 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CC(CC1C(=O)CCOC1)C |
| Synonyms | 3-(2-methylpropyl)oxan-4-one,
1541653-29-5,
AKOS023201908,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number