| CAS Number | 3208-05-7 |
| Catalog Number | AG01DWC6 |
| Chemical Name | Decane-1,9-diol |
| IUPAC Name | decane-1,9-diol |
| InChI | InChI=1S/C10H22O2/c1-10(12)8-6-4-2-3-5-7-9-11/h10-12H,2-9H2,1H3 |
| InChI Key | BRBMYNGGGPTKKL-UHFFFAOYSA-N |
| MDL Number | MFCD31665384 |
| Molecular Formula | C10H22O2 |
| Molecular Weight | 174.2805 |
| SMILES | OCCCCCCCCC(O)C |
| Synonyms | Decane-1,9-diol,
1,9-Decanediol,
3208-05-7,
SCHEMBL554360,
BRBMYNGGGPTKKL-UHFFFAOYSA-N,
CID10910076,
|
| Complexity | 83.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.284g/mol |
| Monoisotopic Mass | 174.162g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number