| CAS Number | 808763-09-9 |
| Catalog Number | AG01BRC2(AGN-PC-0OIGGO) |
| Chemical Name | 3-(bromomethyl)-2-oxaspiro[4.5]decane |
| IUPAC Name | 3-(bromomethyl)-2-oxaspiro[4.5]decane |
| InChI | InChI=1S/C10H17BrO/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9H,1-8H2 |
| InChI Key | PTRHQEJVWWNBCP-UHFFFAOYSA-N |
| MDL Number | MFCD30502428 |
| Molecular Formula | C10H17BrO |
| Molecular Weight | 233.1454 |
| SMILES | BrCC1OCC2(CCCCC2)C1 |
| Synonyms | 3-(Bromomethyl)-2-oxaspiro[4.5]decane,
808763-09-9,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.149g/mol |
| Monoisotopic Mass | 232.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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