| CAS Number | 382631-43-8 |
| Catalog Number | AG003DBM(AGN-PC-0433J8) |
| Chemical Name | Octane-1,2,8-triol |
| IUPAC Name | octane-1,2,8-triol |
| InChI | InChI=1S/C8H18O3/c9-6-4-2-1-3-5-8(11)7-10/h8-11H,1-7H2 |
| InChI Key | GKCGJDQACNSNBB-UHFFFAOYSA-N |
| MDL Number | MFCD02093484 |
| Molecular Formula | C8H18O3 |
| Molecular Weight | 162.2267 |
| SMILES | OCC(O)CCCCCCO |
| Synonyms | 1,2,8-Octanetriol,
382631-43-8,
OCTANE-1,2,8-TRIOL,
ACMC-209iz0,
SCHEMBL820519,
CTK1B5012,
DTXSID60634002,
KS-000013XE,
ANW-28858,
MFCD02093484,
AKOS030239469,
ACM382631438,
TC-117603,
O0279,
I14-101828,
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| Complexity | 75.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.229g/mol |
| Monoisotopic Mass | 162.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number