| CAS Number | 179096-59-4 |
| Catalog Number | AG01C1GA |
| Chemical Name | 2-(Oxan-4-yl)propan-2-ol |
| IUPAC Name | 2-(oxan-4-yl)propan-2-ol |
| InChI | InChI=1S/C8H16O2/c1-8(2,9)7-3-5-10-6-4-7/h7,9H,3-6H2,1-2H3 |
| InChI Key | QTYOMTKXFBGPTJ-UHFFFAOYSA-N |
| MDL Number | MFCD11878595 |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.2114 |
| SMILES | CC(O)(C1CCOCC1)C |
| Synonyms | 2-(oxan-4-yl)propan-2-ol,
179096-59-4,
2-(tetrahydropyran-4-yl)propan-2-ol,
2-(Tetrahydro-2H-pyran-4-yl)propan-2-ol,
SCHEMBL19303569,
ZINC39115846,
AKOS013250506,
Z2236619844,
CID10630629,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.214g/mol |
| Monoisotopic Mass | 144.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number