| CAS Number | 1344255-35-1 |
| Catalog Number | AG01AKTF |
| Chemical Name | [5-Methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol |
| IUPAC Name | [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol |
| InChI | InChI=1S/C13H18O3/c1-10-2-3-13(12(6-10)7-14)16-9-11-4-5-15-8-11/h2-3,6,11,14H,4-5,7-9H2,1H3 |
| InChI Key | ARMPBKCXEDXYII-UHFFFAOYSA-N |
| MDL Number | MFCD18331418 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CC1=CC(CO)=C(OCC2COCC2)C=C1 |
| Synonyms | [5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol,
1344255-35-1,
AKOS012629516,
MCULE-1097351156,
NE48541,
EN300-85173,
{5-methyl-2-[(oxolan-3-yl)methoxy]phenyl}methanol,
Z1259339727,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number