| CAS Number | 1383823-62-8 |
| Catalog Number | AG018S67(AGN-PC-0WORG1) |
| Chemical Name | {Spiro[2.3]hexan-5-yl}methanol |
| IUPAC Name | spiro[2.3]hexan-5-ylmethanol |
| InChI | InChI=1S/C7H12O/c8-5-6-3-7(4-6)1-2-7/h6,8H,1-5H2 |
| InChI Key | ULFUPWUFXXHRDF-UHFFFAOYSA-N |
| MDL Number | MFCD28139588 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | OCC1CC2(C1)CC2 |
| Synonyms | spiro[2.3]hexan-5-ylmethanol,
{spiro[2.3]hexan-5-yl}methanol,
1383823-62-8,
SCHEMBL10262814,
ULFUPWUFXXHRDF-UHFFFAOYSA-N,
AKOS024047049,
ZINC167917065,
FCH2565407,
EN300-195076,
F8887-6657,
|
| Complexity | 97 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number