954235-98-4 Purity
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Specification
The molecular formula of the compound is C10H16O2S.
The PubChem CID for the compound is 45158726.
The IUPAC name of the compound is 7-oxa-12-thiaspiro[5.6]dodecan-3-one.
The molecular weight of the compound is 200.30 g/mol.
The InChI of the compound is InChI=1S/C10H16O2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-13-10/h1-8H2.
The InChIKey of the compound is KOOMDFWUUCHMHH-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1CCSC2(CCC(=O)CC2)OC1.
The CAS number of the compound is 954236-23-8.
The XLogP3-AA value of the compound is 1.4.
Yes, the compound is canonicalized.