| CAS Number | 1823960-41-3 |
| Catalog Number | AG01C3ZE |
| Chemical Name | spiro[3.3]heptan-1-ol |
| IUPAC Name | spiro[3.3]heptan-3-ol |
| InChI | InChI=1S/C7H12O/c8-6-2-5-7(6)3-1-4-7/h6,8H,1-5H2 |
| InChI Key | UUSNBRGUEFLZNW-UHFFFAOYSA-N |
| MDL Number | MFCD26407275 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | C1CC2(C1)CCC2O |
| Synonyms | SPIRO[3.3]HEPTAN-1-OL,
1823960-41-3,
SCHEMBL20899585,
AS-42427,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.088815g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.17g/mol |
| Monoisotopic Mass | 112.088815g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number