| CAS Number | 1546780-44-2 |
| Catalog Number | AG01B5LQ |
| Chemical Name | 1-(Hydroxymethyl)-3,3-dimethylcyclohexan-1-ol |
| IUPAC Name | 1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol |
| InChI | InChI=1S/C9H18O2/c1-8(2)4-3-5-9(11,6-8)7-10/h10-11H,3-7H2,1-2H3 |
| InChI Key | SHLQDPNJNLYDSM-UHFFFAOYSA-N |
| MDL Number | MFCD24287628 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CC1(CC(CO)(O)CCC1)C |
| Synonyms | 1-(hydroxymethyl)-3,3-dimethylcyclohexan-1-ol,
1546780-44-2,
AKOS021031401,
Z2522870513,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number