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Structure

2-(Propan-2-yloxy)naphthalene-1-boronic acid

CAS
1084904-39-1
Catalog Number
ACM1084904391
Category
Boronic Acids

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What is the molecular formula of the compound?

The molecular formula of the compound is C13H15BO3.

How much does the compound weigh?

The compound weighs 230.07 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (2-propan-2-yloxynaphthalen-1-yl)boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H15BO3/c1-9(2)17-12-8-7-10-5-3-4-6-11(10)13(12)14(15)16/h3-9,15-16H,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C=CC2=CC=CC=C12)OC(C)C)(O)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

How many heavy atom counts does the compound have?

The compound has 17 heavy atom counts.

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