| CAS Number | 2059914-99-5 |
| Catalog Number | AG01C0GS |
| Chemical Name | Cis-3-(benzyloxy)-2,2-dimethylcyclobutan-1-ol |
| IUPAC Name | (1S,3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-ol |
| InChI | InChI=1S/C13H18O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1 |
| InChI Key | BJKWKWODHKPZTO-NWDGAFQWSA-N |
| MDL Number | MFCD31537160 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | CC1([C@H](OCC2=CC=CC=C2)C[C@@H]1O)C |
| Synonyms | 2059914-99-5,
(1S,3R)-3-(benzyloxy)-2,2-dimethylcyclobutan-1-ol,
ZINC85508343,
rac-(1R,3S)-3-(benzyloxy)-2,2-dimethylcyclobutan-1-ol, cis,
|
| Complexity | 207 |
| 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 | 2.3 |
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Certificate of Analysis
Lot Number