| CAS Number | 1343797-68-1 |
| Catalog Number | AG01A65J(AGN-PC-0WOC9E) |
| Chemical Name | 2-methyl-3-(oxan-4-yl)propan-1-ol |
| IUPAC Name | 2-methyl-3-(oxan-4-yl)propan-1-ol |
| InChI | InChI=1S/C9H18O2/c1-8(7-10)6-9-2-4-11-5-3-9/h8-10H,2-7H2,1H3 |
| InChI Key | IRTYHWVHQHWFET-UHFFFAOYSA-N |
| MDL Number | MFCD20385991 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CC(CC1CCOCC1)CO |
| Synonyms | 2-methyl-3-(oxan-4-yl)propan-1-ol,
1343797-68-1,
AKOS013993222,
NE53558,
2-Methyl-3-(tetrahydro-pyran-4-yl)-propan-1-ol,
A1-08702,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number