CAS
94021-39-3 Purity
96%
94021-39-3 Purity
96%
![Sodium[4-amino-5-hydroxy-6-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-1-sulfonato(3-)]hydroxychromate(1-)](https://resource.alfa-chemistry.com/structure/94021-50-8.gif)
![Pentahydrogen bis[3-hydroxy-4-[(2-hydroxy-6-sulfo-1-naphthyl)azo]-7-nitronaphthalene-1-sulfonato(4-)]chromate(3-)](https://resource.alfa-chemistry.com/structure/94021-55-3.gif)
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2-(2,6-Dimethyl-1,5-heptadien-1-yl)-1,3-oxathiolane
CAS
94021-44-0
Catalog Number
ACM94021440
Category
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C12H20OS.
When was the compound created and modified?
The compound was created on October 26, 2006, and modified on December 30, 2023.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-oxathiolane.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(=CCCC(=CC1OCCS1)C)C.
What is the InChIKey of the compound?
The InChIKey of the compound is HMOWOIXFMXZXDA-PKNBQFBNSA-N.
What is the molecular weight of the compound?
The molecular weight of the compound is 212.35 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 34.5 Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound considered canonicalized?
Yes, the compound is considered canonicalized.
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