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Structure

7-Oxa-12-thia-spiro[5.6]dodecan-3-one

CAS
954236-23-8
Catalog Number
ACM954236238
Category
Other Products
Molecular Weight
200.29784
Molecular Formula
C10H16O2S

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Specification

Synonyms
7-Oxa-12-thia-spiro[5.6]dodecan-3-one
What is the molecular formula of the compound?

The molecular formula of the compound is C10H16O2S.

What is the PubChem CID for the compound?

The PubChem CID for the compound is 45158726.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 7-oxa-12-thiaspiro[5.6]dodecan-3-one.

What is the molecular weight of the compound?

The molecular weight of the compound is 200.30 g/mol.

What is the InChI of the compound?

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.

What is the InChIKey of the compound?

The InChIKey of the compound is KOOMDFWUUCHMHH-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CCSC2(CCC(=O)CC2)OC1.

What is the CAS number of the compound?

The CAS number of the compound is 954236-23-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.4.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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