| CAS Number | 1050493-77-0 |
| Catalog Number | AG0095M8(AGN-PC-0WCV4E) |
| Chemical Name | 2-(Tetrahydro-2H-pyran-3-yl)ethanol |
| IUPAC Name | 2-(oxan-3-yl)ethanol |
| InChI | InChI=1S/C7H14O2/c8-4-3-7-2-1-5-9-6-7/h7-8H,1-6H2 |
| InChI Key | YEQNKCUQFRSBHF-UHFFFAOYSA-N |
| MDL Number | MFCD11053762 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | OCCC1COCCC1 |
| Synonyms | 2-(Tetrahydro-2H-pyran-3-yl)ethanol,
1050493-77-0,
tetrahydro-2H-Pyran-3-ethanol,
2-(oxan-3-yl)ethan-1-ol,
SCHEMBL2197027,
2H-pyran-3-ethanol, tetrahydro-,
YEQNKCUQFRSBHF-UHFFFAOYSA-N,
ALBB-026628,
MFCD11053762,
AKOS006307372,
DA-48093,
FT-0748381,
N/A,
|
| Complexity | 73.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.187g/mol |
| Monoisotopic Mass | 130.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number