| CAS Number | 51329-29-4 |
| Catalog Number | AG01C0DW(AGN-PC-0SA9VS) |
| Chemical Name | rac-(1R,2R)-2-(benzyloxy)cyclohexan-1-ol |
| IUPAC Name | (1R,2R)-2-phenylmethoxycyclohexan-1-ol |
| InChI | InChI=1S/C13H18O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m1/s1 |
| InChI Key | OZOOGFVOCPMNTN-CHWSQXEVSA-N |
| MDL Number | MFCD29045640 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | O[C@H]1[C@H](OCC2=CC=CC=C2)CCCC1 |
| Synonyms | ZINC34027618,
2alpha-(Benzyloxy)cyclohexane-1beta-ol,
rac-(1R,2R)-2-(benzyloxy)cyclohexan-1-ol, trans,
51329-29-4,
85761-38-2,
CID9920713,
(1R,2S)-2-phenylmethoxycyclohexan-1-ol,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number