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Structure

1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile

CAS
94386-57-9
Catalog Number
ACM94386579
Category
Other Products
Molecular Weight
189.29666
Molecular Formula
C13H19N

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Specification

Density
0.97g/cm³
What is the molecular formula of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The molecular formula is C13H19N.

When was 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile created in PubChem?

It was created on August 9, 2005.

What is the IUPAC name of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The IUPAC name is 4,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile.

What is the InChIKey of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The InChIKey is YEVCTGOJOVCQBE-UHFFFAOYSA-N.

What is the molecular weight of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The molecular weight is 189.30 g/mol.

What is the Canonical SMILES of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The Canonical SMILES is CC1CCC2=C(C1)CC(CC2C)C#N.

What is the XLogP3-AA value of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The XLogP3-AA value is 2.5.

How many hydrogen bond acceptors does 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile have?

It has 1 hydrogen bond acceptor.

What is the topological polar surface area of 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile?

The topological polar surface area is 23.8 Ų.

Is 1,2,3,4,5,6,7,8-Octahydro-4,7-dimethylnaphthalene-2-carbonitrile a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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