| CAS Number | 2177259-17-3 |
| Catalog Number | AG01FLH1(AGN-PC-3H4B7D) |
| Chemical Name | 2-(hydroxymethyl)-1-oxaspiro[5.5]undecan-9-one |
| IUPAC Name | 2-(hydroxymethyl)-1-oxaspiro[5.5]undecan-9-one |
| InChI | InChI=1S/C11H18O3/c12-8-10-2-1-5-11(14-10)6-3-9(13)4-7-11/h10,12H,1-8H2 |
| InChI Key | FLOMWBGTALFARB-UHFFFAOYSA-N |
| MDL Number | MFCD31652240 |
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.2588 |
| SMILES | OCC1CCCC2(O1)CCC(=O)CC2 |
| Synonyms | 2-(Hydroxymethyl)-1-oxaspiro[5.5]undecan-9-one,
CS-0079848,
1-Oxaspiro[5.5]undecan-9-one, 2-(hydroxymethyl)-,
2177259-17-3,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.125594g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.26g/mol |
| Monoisotopic Mass | 198.125594g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number