| CAS Number | 1864407-98-6 |
| Catalog Number | AG01BUUI |
| Chemical Name | {1,8-dioxaspiro[4.5]decan-2-yl}methanol |
| IUPAC Name | 1,8-dioxaspiro[4.5]decan-2-ylmethanol |
| InChI | InChI=1S/C9H16O3/c10-7-8-1-2-9(12-8)3-5-11-6-4-9/h8,10H,1-7H2 |
| InChI Key | VIPUPSZLONVDBH-UHFFFAOYSA-N |
| MDL Number | MFCD30476182 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | OCC1OC2(CCOCC2)CC1 |
| Synonyms | {1,8-dioxaspiro[4.5]decan-2-yl}methanol,
1864407-98-6,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number