| CAS Number | 30804-00-3 |
| Catalog Number | AG01BBU7 |
| Chemical Name | (1S,3S)-3-ETHOXYCYCLOBUTAN-1-OL |
| IUPAC Name | 3-ethoxycyclobutan-1-ol |
| InChI | InChI=1S/C6H12O2/c1-2-8-6-3-5(7)4-6/h5-7H,2-4H2,1H3 |
| InChI Key | QZQDATNTJZMTMH-UHFFFAOYSA-N |
| MDL Number | MFCD22397419 |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.1583 |
| SMILES | CCO[C@@H]1C[C@H](O)C1 |
| Synonyms | 3-ethoxycyclobutan-1-ol,
78119-92-3,
cis-3-Ethoxycyclobutan-1-ol,
trans-3-Ethoxycyclobutan-1-ol,
30804-00-3,
59138-92-0,
3-Ethoxy-cyclobutanol,
cis-3-Ethoxycyclobutanol,
trans-3-Ethoxycyclobutanol,
3-ethoxycyclobutan-1-ol, cis,
ZINC85508504,
AKOS015711668,
ZINC238296698,
ZINC238297910,
MCULE-6259730085,
NE24964,
EN300-215421,
Z1762997550,
|
| Complexity | 66.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.16g/mol |
| Monoisotopic Mass | 116.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number