4-Acetoxybenzaldehyde

• CAS: 878-00-2
• Catalog Number: ACM878002
• Category: Other Products
• Molecular Weight: 164.16g/mol
• Molecular Formula: C9H8O3
• Synonyms: P-ACETOXYBENZALDEHYDE;P-FORMYLPHENYL ACETATE;TIMTEC-BB SBB008231;ACETIC ACID 4-FORMYLPHENYL ESTER;4-ACETOXYBENZALDEHYDE;4-FORMYLPHENYL ACETATE;ASINEX-REAG BAS 04292673;4-(acetyloxy)-benzaldehyd
• IUPAC Name: (4-formylphenyl) acetate
• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C=O
• InChI: InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3
• InChI Key: SEVSMVUOKAMPDO-UHFFFAOYSA-N
• Boiling Point: 152-153°C17mm Hg(lit.)
• Flash Point: >230°F
• Density: 1.168g/mL at 25°C(lit.)
• Complexity: 169
• Covalently-Bonded Unit Count: 1
• EC Number: 212-898-3
• Exact Mass: 164.047344g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Monoisotopic Mass: 164.047344g/mol
• NSC Number: 40537
• Rotatable Bond Count: 3
• Safety Description: 26-37/39
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 0.6

Custom Q&A

What is the molecular formula of 4-Acetoxybenzaldehyde?

The molecular formula of 4-Acetoxybenzaldehyde is C9H8O3.

When was 4-Acetoxybenzaldehyde first created and modified?

4-Acetoxybenzaldehyde was first created on 2005-03-26 and modified on 2023-12-30.

What is the IUPAC name of 4-Acetoxybenzaldehyde?

The IUPAC name of 4-Acetoxybenzaldehyde is (4-formylphenyl) acetate.

Can you provide the InChIKey of 4-Acetoxybenzaldehyde?

The InChIKey of 4-Acetoxybenzaldehyde is SEVSMVUOKAMPDO-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Acetoxybenzaldehyde?

The Canonical SMILES of 4-Acetoxybenzaldehyde is CC(=O)OC1=CC=C(C=C1)C=O.

What is the molecular weight of 4-Acetoxybenzaldehyde?

The molecular weight of 4-Acetoxybenzaldehyde is 164.16 g/mol.

How many hydrogen bond acceptor counts does 4-Acetoxybenzaldehyde have?

4-Acetoxybenzaldehyde has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Acetoxybenzaldehyde?

The topological polar surface area of 4-Acetoxybenzaldehyde is 43.4 Ų.

How many rotatable bond counts does 4-Acetoxybenzaldehyde have?

4-Acetoxybenzaldehyde has 3 rotatable bond counts.

What is the XLogP3 value of 4-Acetoxybenzaldehyde?

The XLogP3 value of 4-Acetoxybenzaldehyde is 0.6.