4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester

• CAS: 269410-22-2
• Catalog Number: ACM269410222
• Category: Other
• Molecular Weight: 250.1g/mol
• Molecular Formula: C13H19BO4
• IUPAC Name: 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)OC
• InChI: InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8,15H,1-5H3
• InChI Key: WFSJROCEOJANPD-UHFFFAOYSA-N
• Complexity: 289
• Covalently-Bonded Unit Count: 1
• Exact Mass: 250.137639g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 250.137639g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester?

The molecular formula of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is C13H19BO4.

When was the compound first created?

The compound was first created on July 19, 2005.

What is the molecular weight of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester?

The molecular weight of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is 250.10 g/mol.

What is the InChIKey of the compound?

The InChIKey of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is WFSJROCEOJANPD-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the exact mass of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester?

The exact mass of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is 250.1376392 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is 47.9Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester in canonical form?

Yes, 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester is in canonical form.