| CAS Number | 33867-36-6 |
| Catalog Number | AG00CL22(AGN-PC-0N0SZC) |
| Chemical Name | 5-Oxaspiro[2.4]heptan-6-one |
| IUPAC Name | 5-oxaspiro[2.4]heptan-6-one |
| InChI | InChI=1S/C6H8O2/c7-5-3-6(1-2-6)4-8-5/h1-4H2 |
| InChI Key | VDDTXNQOEDQFSZ-UHFFFAOYSA-N |
| MDL Number | MFCD17014664 |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.1265 |
| SMILES | O=C1CC2(CC2)CO1 |
| Synonyms | 5-oxaspiro[2.4]heptan-6-one,
33867-36-6,
5-oxa-spiro[2.4]heptan-6-one,
SCHEMBL1484517,
VDDTXNQOEDQFSZ-UHFFFAOYSA-N,
MFCD17014664,
AKOS030229894,
AS-54098,
CS-0050415,
6-oxaspiro[2.4]heptan-5-one,
CID10219402,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.128g/mol |
| Monoisotopic Mass | 112.052g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number