| CAS Number | 1010836-47-1 |
| Catalog Number | AG01EHR3 |
| Chemical Name | 1,4-dioxepan-6-ylmethanol |
| IUPAC Name | 1,4-dioxepan-6-ylmethanol |
| InChI | InChI=1S/C6H12O3/c7-3-6-4-8-1-2-9-5-6/h6-7H,1-5H2 |
| InChI Key | GASNYJSTLHYBCX-UHFFFAOYSA-N |
| MDL Number | MFCD22394048 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | C1(CO)COCCOC1 |
| Synonyms | (1,4-Dioxepan-6-yl)methanol,
1010836-47-1,
1,4-Dioxepane-6-methanol,
1,4-dioxepan-6-ylmethanol,
SCHEMBL2567559,
MFCD22394048,
|
| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number