| CAS Number | 29425-56-7 |
| Catalog Number | AG01DWB7 |
| Chemical Name | (Oxepan-2-yl)methanol |
| IUPAC Name | oxepan-2-ylmethanol |
| InChI | InChI=1S/C7H14O2/c8-6-7-4-2-1-3-5-9-7/h7-8H,1-6H2 |
| InChI Key | YYZWPDSQTDVVIN-UHFFFAOYSA-N |
| MDL Number | MFCD29981309 |
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.1849 |
| SMILES | OCC1OCCCCC1 |
| Synonyms | (oxepan-2-yl)methanol,
29425-56-7,
SCHEMBL840267,
|
| 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 | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number