| CAS Number | 31891-67-5 |
| Catalog Number | AG01BCSR(AGN-PC-0WOUU2) |
| Chemical Name | 2-(oxolan-3-yl)cyclohexan-1-one |
| IUPAC Name | 2-(oxolan-3-yl)cyclohexan-1-one |
| InChI | InChI=1S/C10H16O2/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h8-9H,1-7H2 |
| InChI Key | NKLQONGHRZIMGP-UHFFFAOYSA-N |
| MDL Number | MFCD18366526 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | O=C1C(C2COCC2)CCCC1 |
| Synonyms | 2-(oxolan-3-yl)cyclohexan-1-one,
31891-67-5,
AKOS012873453,
NE45015,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number