| CAS Number | 52978-85-5 |
| Catalog Number | AG01FNQH(AGN-PC-0JT826) |
| Chemical Name | 3-Methylene-1-oxaspiro[4.5]decan-2-one |
| IUPAC Name | 3-methylidene-1-oxaspiro[4.5]decan-2-one |
| InChI | InChI=1S/C10H14O2/c1-8-7-10(12-9(8)11)5-3-2-4-6-10/h1-7H2 |
| InChI Key | IIBYNQIZDCDJIS-UHFFFAOYSA-N |
| MDL Number | MFCD00795184 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | C=C1CC2(OC1=O)CCCCC2 |
| Synonyms | 1-Oxaspiro[4.5]decan-2-one, 3-methylene-,
52978-85-5,
AC1LBBF5,
3-Methylene-1-oxa-spiro[4.5]decan-2-one,
CHEMBL9041,
SCHEMBL2739911,
CTK1G1679,
DTXSID30342208,
IIBYNQIZDCDJIS-UHFFFAOYSA-N,
2-methylidene-4-oxaspiro[4.5]decan-3-one,
3-Methylene-2-oxo-1-oxaspiro[4.5]decane,
3-methylidene-1-oxaspiro[4.5]decan-2-one,
CID579763,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number