| CAS Number | 760211-13-0 |
| Catalog Number | AG019THP(AGN-PC-0WO7UO) |
| Chemical Name | 1-Methoxy-3-methylbutan-2-ol |
| IUPAC Name | 1-methoxy-3-methylbutan-2-ol |
| InChI | InChI=1S/C6H14O2/c1-5(2)6(7)4-8-3/h5-7H,4H2,1-3H3 |
| InChI Key | XFYWHZOKFISCGP-UHFFFAOYSA-N |
| MDL Number | MFCD14691023 |
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.1742 |
| SMILES | COCC(C(C)C)O |
| Synonyms | 1-methoxy-3-methylbutan-2-ol,
760211-13-0,
isopropyl 2-methoxyethanol,
SCHEMBL10047659,
AKOS010815502,
MCULE-3818851772,
NE48588,
|
| Complexity | 52.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 118.176g/mol |
| Monoisotopic Mass | 118.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number