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Structure

Isoxazole, 5-(1,1-dimethylethyl)-3-methoxy-4-methyl- (9CI)

CAS
95406-70-5
Catalog Number
ACM95406705
Category
Other Products
Molecular Weight
169.2209
Molecular Formula
C9H15NO2

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Specification

Synonyms
Isoxazole, 5-(1,1-dimethylethyl)-3-methoxy-4-methyl- (9CI)
What is the molecular formula of the compound?

The molecular formula of the compound is C9H15NO2.

What are some synonyms of the compound?

Some synonyms of the compound are 95406-70-5, 5-(tert-Butyl)-3-methoxy-4-methylisoxazole, and ISOXAZOLE, 5-(1,1-DIMETHYLETHYL)-3-METHOXY-4-METHYL- (9CI).

What is the molecular weight of the compound?

The molecular weight of the compound is 169.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-tert-butyl-3-methoxy-4-methyl-1,2-oxazole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H15NO2/c1-6-7(9(2,3)4)12-10-8(6)11-5/h1-5H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=C(ON=C1OC)C(C)(C)C.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.7.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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