| CAS Number | 1567985-37-8 |
| Catalog Number | AG01ACXK(AGN-PC-0WO4GD) |
| Chemical Name | (1S)-1-(oxan-4-yl)ethan-1-ol |
| IUPAC Name | (1S)-1-(oxan-4-yl)ethanol |
| InChI | InChI=1S/C7H14O2/c1-6(8)7-2-4-9-5-3-7/h6-8H,2-5H2,1H3/t6-/m0/s1 |
| InChI Key | HNSFAXPMNOFMQI-LURJTMIESA-N |
| MDL Number | MFCD21188407 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | O1CCC(CC1)[C@H](C)O |
| Synonyms | (1S)-1-(oxan-4-yl)ethan-1-ol,
1567985-37-8,
SCHEMBL17630555,
HNSFAXPMNOFMQI-LURJTMIESA-N,
ZINC68890773,
AKOS014669856,
NE44959,
|
| Complexity | 77 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.09938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.18g/mol |
| Monoisotopic Mass | 130.09938g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number