| CAS Number | 89897-18-7 |
| Catalog Number | AG01AUWA(AGN-PC-00NAS2) |
| Chemical Name | {7-oxabicyclo[2.2.1]heptan-2-yl}methanol, Mixture of diastereomers |
| IUPAC Name | 7-oxabicyclo[2.2.1]heptan-2-ylmethanol |
| InChI | InChI=1S/C7H12O2/c8-4-5-3-6-1-2-7(5)9-6/h5-8H,1-4H2 |
| InChI Key | VCNMKDHFISMVQL-UHFFFAOYSA-N |
| MDL Number | MFCD24445521 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | C12C(CC(CC1)O2)CO |
| Synonyms | 7-oxabicyclo[2.2.1]heptan-2-ylmethanol,
89897-18-7,
{7-oxabicyclo[2.2.1]heptan-2-yl}methanol,
SCHEMBL75680,
VCNMKDHFISMVQL-UHFFFAOYSA-N,
{7-oxabicyclo[2.2.1]heptan-2-yl}methanol, Mixture of diastereomers,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number