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4-Hydroxymethyl-2-phenyl-1,3-dioxane

CAS
93351-55-4
Catalog Number
ACM93351554
Category
Other Products
Molecular Formula
C11H14O3

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What is the molecular formula of the compound mentioned in the reference?

The molecular formula of the compound is C11H14O3.

When was the compound first created according to the reference?

The compound was first created on February 12, 2007.

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is (2-phenyl-1,3-dioxan-4-yl)methanol.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1COC(OC1CO)C2=CC=CC=C2.

What is the molecular weight of the compound?

The molecular weight of the compound is 194.23 g/mol.

How many hydrogen bond donors are present in the compound?

There is 1 hydrogen bond donor in the compound.

How many hydrogen bond acceptors are present in the compound?

There are 3 hydrogen bond acceptors in the compound.

What is the Topological Polar Surface Area of the compound?

The Topological Polar Surface Area of the compound is 38.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts are present in the compound?

There are 2 rotatable bonds in the compound.

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