4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde

• CAS: 128376-65-8
• Catalog Number: ACM128376658
• Category: Other
• Molecular Weight: 204.03
• Molecular Formula: C₁₁H₁₃BO₃
• Synonyms: AKOS BRN-0004;4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZALDEHYDE;4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde;4-FORMYLPHENYLBORONIC ACID, NEOPENTYL GLYCOL CYCLIC ESTER;4-FORMYLBENZENEBORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER;2-(4-FO
• IUPAC Name: 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C=O
• InChI Key: JUHDMCQVJGHKFW-UHFFFAOYSA-N
• Boiling Point: 350.5ºC at 760 mmHg
• Flash Point: 165.8ºC
• Density: 1.08g/cm³
• Appearance: Light yellow powder
• Exact Mass: 218.11100
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H15BO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 218.06 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H15BO3/c1-12(2)8-15-13(16-9-12)11-5-3-10(7-14)4-6-11/h3-7H,8-9H2,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C=O.

What is the CAS number of the compound?

The CAS number of the compound is 128376-65-8.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 805-034-7.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID90400696.

Is the compound canonicalized?

Yes, the compound is canonicalized.