| CAS Number | 70859-32-4 |
| Catalog Number | AG003PY9(AGN-PC-0TYJWO) |
| Chemical Name | erythro-5,6-Dodecanediol |
| IUPAC Name | (5S,6R)-dodecane-5,6-diol |
| InChI | InChI=1S/C12H26O2/c1-3-5-7-8-10-12(14)11(13)9-6-4-2/h11-14H,3-10H2,1-2H3/t11-,12+/m0/s1 |
| InChI Key | COLYTQSCHUMMSR-NWDGAFQWSA-N |
| MDL Number | MFCD02093467 |
| Molecular Formula | C12H26O2 |
| Molecular Weight | 202.3336 |
| SMILES | CCCCCC[C@@H]([C@@H](CCCC)O)O |
| Synonyms | 70859-32-4,
erythro-5,6-Dihydroxydodecane,
(5S,6R)-Dodecane-5,6-diol,
DTXSID60659896,
D2719,
erythro-5,6-Dodecanediol,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.338g/mol |
| Monoisotopic Mass | 202.193g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number