3-Formylphenyl 4-tert-butylbenzoate

• Catalog Number: ACMA00002602
• Category: Ethers
• Molecular Weight: 282.33
• Molecular Formula: C₁₇H₂₂N₂O₅
• Hazard Statements: H301
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 3-Formylphenyl 4-tert-butylbenzoate?

The molecular formula of 3-Formylphenyl 4-tert-butylbenzoate is C18H18O3.

What is the molecular weight of 3-Formylphenyl 4-tert-butylbenzoate?

The molecular weight of 3-Formylphenyl 4-tert-butylbenzoate is 282.3 g/mol.

What is the IUPAC name of 3-Formylphenyl 4-tert-butylbenzoate?

The IUPAC name of 3-Formylphenyl 4-tert-butylbenzoate is (3-formylphenyl) 4-tert-butylbenzoate.

What is the InChI of 3-Formylphenyl 4-tert-butylbenzoate?

The InChI of 3-Formylphenyl 4-tert-butylbenzoate is InChI=1S/C18H18O3/c1-18(2,3)15-9-7-14(8-10-15)17(20)21-16-6-4-5-13(11-16)12-19/h4-12H,1-3H3.

What is the InChIKey of 3-Formylphenyl 4-tert-butylbenzoate?

The InChIKey of 3-Formylphenyl 4-tert-butylbenzoate is LPNIXQOGARYNFN-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Formylphenyl 4-tert-butylbenzoate?

The canonical SMILES of 3-Formylphenyl 4-tert-butylbenzoate is CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=O.

What is the XLogP3-AA value of 3-Formylphenyl 4-tert-butylbenzoate?

The XLogP3-AA value of 3-Formylphenyl 4-tert-butylbenzoate is 4.5.

How many hydrogen bond donor counts does 3-Formylphenyl 4-tert-butylbenzoate have?

3-Formylphenyl 4-tert-butylbenzoate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Formylphenyl 4-tert-butylbenzoate have?

3-Formylphenyl 4-tert-butylbenzoate has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Formylphenyl 4-tert-butylbenzoate have?

3-Formylphenyl 4-tert-butylbenzoate has 5 rotatable bond counts.