3,4-Methylenedioxyphenylboronic acid

• CAS: 94839-07-3
• Catalog Number: ACM94839073
• Category: Other Products
• Molecular Weight: 165.94g/mol
• Molecular Formula: C7H7BO4
• Synonyms: BENZO[D][1,3]DIOXOL-5-YLBORONIC ACID;3,4-METHYLENEDIOXYBENZENEBORONIC ACID;3,4-METHYLENEDIOXYPHENYLBORONIC ACID;1,3-BENZODIOXOL-5-YLBORONIC ACID;RARECHEM AH PB 0145;TIMTEC-BB SBB003898;1,3-Benzodioxole-5-boronic acid;3,4-Methylenedioxyphenylboroni
• IUPAC Name: 1,3-benzodioxol-5-ylboronic acid
• Canonical SMILES: B(C1=CC2=C(C=C1)OCO2)(O)O
• InChI: InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
• InChI Key: CMHPUBKZZPSUIQ-UHFFFAOYSA-N
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Exact Mass: 166.043739g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 166.043739g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3,4-Methylenedioxyphenylboronic acid?

The molecular formula of 3,4-Methylenedioxyphenylboronic acid is C7H7BO4.

When was 3,4-Methylenedioxyphenylboronic acid created in PubChem?

3,4-Methylenedioxyphenylboronic acid was created in PubChem on July 19, 2005.

What is the molecular weight of 3,4-Methylenedioxyphenylboronic acid?

The molecular weight of 3,4-Methylenedioxyphenylboronic acid is 165.94 g/mol.

What is the IUPAC name of 3,4-Methylenedioxyphenylboronic acid?

The IUPAC name of 3,4-Methylenedioxyphenylboronic acid is 1,3-benzodioxol-5-ylboronic acid.

What is the InChI of 3,4-Methylenedioxyphenylboronic acid?

The InChI of 3,4-Methylenedioxyphenylboronic acid is InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2.

How many hydrogen bond donor counts does 3,4-Methylenedioxyphenylboronic acid have?

3,4-Methylenedioxyphenylboronic acid has 2 hydrogen bond donor counts.

What is the topological polar surface area of 3,4-Methylenedioxyphenylboronic acid?

The topological polar surface area of 3,4-Methylenedioxyphenylboronic acid is 58.9 Ų.

Does 3,4-Methylenedioxyphenylboronic acid have any defined atom stereocenter count?

No, 3,4-Methylenedioxyphenylboronic acid does not have any defined atom stereocenter count.

What is the heavy atom count of 3,4-Methylenedioxyphenylboronic acid?

The heavy atom count of 3,4-Methylenedioxyphenylboronic acid is 12.

Is 3,4-Methylenedioxyphenylboronic acid a canonicalized compound?

Yes, 3,4-Methylenedioxyphenylboronic acid is a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 69672-52-2
• 94839-07-3

• 3162-29-6

Reference: [1] Journal of the American Chemical Society, 2007, vol. 129, # 51, p. 15734 - 15735

Downstream Synthesis Route 2

• 94839-07-3

• 368-48-9

Reference: [1] Organic Process Research and Development, 2014, vol. 18, # 9, p. 1128 - 1136

Downstream Synthesis Route 3

• 94839-07-3

• 75806-86-9

Reference: [1] Patent: US2003/207910, 2003, A1,

* For details of the synthesis route, please refer to the original source to ensure accuracy.