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Structure

1,2,3,5,6,7,8,8a-Octahydro-8,8-dimethylnaphthalene-2-methanol

CAS
93804-63-8
Catalog Number
ACM93804638
Category
Other Products
Molecular Formula
C13H22O

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What is the molecular formula of the compound?

The molecular formula of the compound is C13H22O.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (8,8-dimethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-2-yl)methanol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H22O/c1-13(2)7-3-4-11-6-5-10(9-14)8-12(11)13/h6,10,12,14H,3-5,7-9H2,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1(CCCC2=CCC(CC21)CO)C.

What is the molecular weight of the compound?

The molecular weight of the compound is 194.31 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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